CAS RN: 53100-46-2
CAS Name: 3-methyl-2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]butanoic acid
OPENEYE Name: 3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanoic acid
IUPAC Name: 3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanoic acid
SYSTEMATIC NAME: 3-methyl-2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]butanoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C)C(C(=O)O)N/C=C/1\C=CC=CC1=O
Structure:
CAS RN: 20329-53-7
CAS Name: (7E)-7-[(2Z)-2-(1-ethyl-3,3-dimethyl-2-indolylidene)ethylidene]-8-quinolin-1-iumone
OPENEYE Name: (7E)-7-[(2Z)-2-(1-ethyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]quinolin-1-ium-8-one
IUPAC Name: (7E)-7-[(2Z)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]quinolin-1-ium-8-one
SYSTEMATIC NAME: (7E)-7-[(2Z)-2-(1-ethyl-3,3-dimethyl-indol-2-ylidene)ethylidene]quinolin-1-ium-8-one
MOLECULAR FORMULA: C23H23N2O+
MOLECULAR WEIGHT: 343.44152
SMILES: CCN\1C2=CC=CC=C2C(/C1=C/C=C/3\C=CC4=C(C3=O)[NH+]=CC=C4)(C)C
Structure:
CAS RN: 4835-65-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H52N4O6
MOLECULAR WEIGHT: 720.89618
SMILES: C/C=C\1/CN(C2CC3=C(C(CC1C2C(=O)OC)C4=C(C=C5C6=C(C7(CC8CC(C7N(C8)CC6)C(C)O)C(=O)OC)NC5=C4)OC)NC9=CC=CC=C39)C
Structure:
CAS RN: 5130-80-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H52N4O6
MOLECULAR WEIGHT: 720.89618
SMILES: C/C=C\1/CN(C2CC3=C(C(CC1C2C(=O)OC)C4=C(C=C5C6=C(C7(CC8CC(C7N(C8)CC6)C(C)O)C(=O)OC)NC5=C4)OC)NC9=CC=CC=C39)C
Structure:
CAS RN: 24387-36-8
CAS Name: 2,5-diphenyl-3-[4-[(E)-2-phenylethenyl]phenyl]tetrazol-3-ium
OPENEYE Name: 2,5-diphenyl-3-[4-[(E)-styryl]phenyl]tetrazol-3-ium
IUPAC Name: 2,5-diphenyl-3-[4-[(E)-2-phenylethenyl]phenyl]tetrazol-3-ium
SYSTEMATIC NAME: 2,5-diphenyl-3-[4-[(E)-2-phenylethenyl]phenyl]-1,2,3,4-tetrazol-3-ium
MOLECULAR FORMULA: C27H21N4+
MOLECULAR WEIGHT: 401.48244
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 7593-47-7
CAS Name: N-[(Z)-amino-(5-amino-4-imidazolylidene)methyl]hydroxylamine
OPENEYE Name: N-[(Z)-amino-(5-aminoimidazol-4-ylidene)methyl]hydroxylamine
IUPAC Name: N-[(Z)-amino-(5-aminoimidazol-4-ylidene)methyl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-azanyl-(5-azanylimidazol-4-ylidene)methyl]hydroxylamine
MOLECULAR FORMULA: C4H7N5O
MOLECULAR WEIGHT: 141.13128
SMILES: C1=N/C(=C(/N)\NO)/C(=N1)N
Structure:
CAS RN: 57538-27-9
CAS Name: N'-nitrocarbamimidic acid methyl ester
OPENEYE Name: 2-methyl-3-nitro-isourea
IUPAC Name: methyl N'-nitrocarbamimidate
SYSTEMATIC NAME: methyl N'-nitrocarbamimidate
MOLECULAR FORMULA: C2H5N3O3
MOLECULAR WEIGHT: 119.0794
SMILES: CO/C(=N\[N+](=O)[O-])/N
Structure:
CAS RN: 23872-37-9
CAS Name: (3Z)-3-(anilinomethylidene)-1H-indol-2-one
OPENEYE Name: (3Z)-3-(anilinomethylene)indolin-2-one
IUPAC Name: (3Z)-3-(anilinomethylidene)-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-3-(phenylazanylmethylidene)-1H-indol-2-one
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: C1=CC=C(C=C1)N/C=C\2/C3=CC=CC=C3NC2=O
Structure:
CAS RN: 3589-73-9
CAS Name: 6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
OPENEYE Name: 6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
IUPAC Name: 6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: CC1=C2C(=C3C=C(C=CC3=N2)OC)CCN1
Structure:
CAS RN: 2240-70-2
CAS Name: (5E)-5-[(2Z)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-8-quinolin-1-iumone
OPENEYE Name: (5E)-5-[(2Z)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]quinolin-1-ium-8-one
IUPAC Name: (5E)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]quinolin-1-ium-8-one
SYSTEMATIC NAME: (5E)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]quinolin-1-ium-8-one
MOLECULAR FORMULA: C22H21N2O+
MOLECULAR WEIGHT: 329.41494
SMILES: CC\1(C2=CC=CC=C2N(/C1=C\C=C\3/C=CC(=O)C4=C3C=CC=[NH+]4)C)C
Structure:
CAS RN: 6759-82-6
CAS Name: 5-[(E)-2-(8-hydroxy-1-methyl-2H-quinolin-2-yl)ethenyl]-8-quinolinol
OPENEYE Name: 5-[(E)-2-(8-hydroxy-1-methyl-2H-quinolin-2-yl)vinyl]quinolin-8-ol
IUPAC Name: 5-[(E)-2-(8-hydroxy-1-methyl-2H-quinolin-2-yl)ethenyl]quinolin-8-ol
SYSTEMATIC NAME: 5-[(E)-2-(1-methyl-8-oxidanyl-2H-quinolin-2-yl)ethenyl]quinolin-8-ol
MOLECULAR FORMULA: C21H18N2O2
MOLECULAR WEIGHT: 330.37982
SMILES: CN1C(C=CC2=C1C(=CC=C2)O)/C=C/C3=C4C=CC=NC4=C(C=C3)O
Structure:
CAS RN: 47346-96-3
CAS Name: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)-9-thioxanthenylidene]-1-propanamine
OPENEYE Name: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
IUPAC Name: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
SYSTEMATIC NAME: (3E)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
MOLECULAR FORMULA: C19H18F3NS
MOLECULAR WEIGHT: 349.41313
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F
Structure:
CAS RN: 14415-49-7
CAS Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one
OPENEYE Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methyl-chromen-2-one
IUPAC Name: 8-[bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one
SYSTEMATIC NAME: 8-[bis(2-chloroethyl)aminomethyl]-4-methyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C15H17Cl2NO3
MOLECULAR WEIGHT: 330.20638
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2CN(CCCl)CCCl)O
Structure:
CAS RN: 25849-26-7
CAS Name: (3Z)-3-[[4-[[[4-[(2Z)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3Z)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3Z)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3Z)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C27H20N6O7
MOLECULAR WEIGHT: 540.4837
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N/N=C/3\C=C(C(=O)C=C3)C(=O)O)N/N=C/4\C=C(C(=O)C=C4)C(=O)O
Structure:
CAS RN: 82920-61-4
CAS Name: (3Z)-3-[[4-[[[4-[(2Z)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]-oxomethyl]amino]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3Z)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]carbamoylamino]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3Z)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3Z)-3-[[4-[[4-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]carbamoylamino]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C27H20N6O7
MOLECULAR WEIGHT: 540.4837
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N/N=C/3\C=C(C(=O)C=C3)C(=O)O)N/N=C/4\C=C(C(=O)C=C4)C(=O)O
Structure:
CAS RN: 6460-05-5
CAS Name: [(4E)-4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfo-1-cyclohexa-2,5-dienylidene]-dimethylammonium
OPENEYE Name: [(4E)-4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2-sulfo-cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
IUPAC Name: [(4E)-4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfocyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SYSTEMATIC NAME: [(4E)-4-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfophenyl)methyl]amino]phenyl]methylidene]-2-sulfo-cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C31H34N3O6S2+
MOLECULAR WEIGHT: 608.74816
SMILES: CN(C)C1=CC=C(C=C1)/C(=C\2/C=CC(=[N+](C)C)C(=C2)S(=O)(=O)O)/C3=CC=C(C=C3)N(C)CC4=CC(=CC=C4)S(=O)(=O)O
Structure:
CAS RN: 16279-54-2
CAS Name: (4E)-4-[(2-hydroxy-1-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid
OPENEYE Name: (4E)-4-[(2-hydroxy-1-naphthyl)hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonic acid
IUPAC Name: (4E)-4-[(2-hydroxynaphthalen-1-yl)hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: (4E)-7-nitro-3-oxidanylidene-4-[(2-oxidanylnaphthalen-1-yl)hydrazinylidene]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C20H13N3O7S
MOLECULAR WEIGHT: 439.39812
SMILES: C1=CC=C2C(=C1)C=CC(=C2N/N=C/3\C4=C(C=C(C=C4)[N+](=O)[O-])C(=CC3=O)S(=O)(=O)O)O
Structure:
CAS RN: 4910-62-7
CAS Name: (E)-carboxyiminocarbamic acid
OPENEYE Name: (E)-carboxyiminocarbamic acid
IUPAC Name: (E)-carboxyiminocarbamic acid
SYSTEMATIC NAME: (E)-carboxyiminocarbamic acid
MOLECULAR FORMULA: C2H2N2O4
MOLECULAR WEIGHT: 118.04828
SMILES: C(=O)(/N=N/C(=O)O)O
Structure:
CAS RN: 509-38-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24N2O
MOLECULAR WEIGHT: 308.41736
SMILES: C/C=C\1/CN2C3CC1C4C2CC5(C3N(C6=CC=CC=C65)C)C4O
Structure:
CAS RN: 2743-11-5
CAS Name: 4-[(E)-2-[4-(dimethylamino)phenyl]-1,2-diphenylethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[(E)-2-[4-(dimethylamino)phenyl]-1,2-diphenyl-vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[(E)-2-[4-(dimethylamino)phenyl]-1,2-diphenylethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(E)-2-[4-(dimethylamino)phenyl]-1,2-diphenyl-ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C30H30N2
MOLECULAR WEIGHT: 418.5726
SMILES: CN(C)C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)N(C)C)/C4=CC=CC=C4
Structure:
CAS RN: 92352-38-0
CAS Name: 2-[[4-[2-(diaminomethylidene)hydrazinyl]-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]guanidine
OPENEYE Name: 2-[[4-[2-(diaminomethylene)hydrazino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]guanidine
IUPAC Name: 2-[[4-[2-(diaminomethylidene)hydrazinyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]guanidine
SYSTEMATIC NAME: 2-[[4-[2-[bis(azanyl)methylidene]hydrazinyl]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]guanidine
MOLECULAR FORMULA: C8H12N8O2
MOLECULAR WEIGHT: 252.23328
SMILES: C1=C(C(=O)C=C(C1=O)NN=C(N)N)NN=C(N)N
Structure:
CAS RN: 3807-98-5
CAS Name: acetic acid [[(E)-ethoxycarbonylazo]-diphenylmethyl] ester
OPENEYE Name: [[(E)-ethoxycarbonylazo]-diphenyl-methyl] acetate
IUPAC Name: [[(E)-ethoxycarbonyldiazenyl]-diphenylmethyl] acetate
SYSTEMATIC NAME: [[(E)-ethoxycarbonyldiazenyl]-diphenyl-methyl] ethanoate
MOLECULAR FORMULA: C18H18N2O4
MOLECULAR WEIGHT: 326.34652
SMILES: CCOC(=O)/N=N/C(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C
Structure:
CAS RN: 106301-46-6
CAS Name: 6-imino-5-[[4-[[[4-[[4-[(2-imino-8-oxo-6-sulfo-1-naphthalenyl)hydrazo]-3-sulfoanilino]-oxomethyl]phenyl]-oxomethyl]amino]-2-sulfophenyl]hydrazo]-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: 6-imino-5-[2-[4-[[4-[[4-[2-(2-imino-8-oxo-6-sulfo-1-naphthyl)hydrazino]-3-sulfo-phenyl]carbamoyl]benzoyl]amino]-2-sulfo-phenyl]hydrazino]-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: 6-imino-5-[2-[4-[[4-[[4-[2-(2-imino-8-oxo-6-sulfonaphthalen-1-yl)hydrazinyl]-3-sulfophenyl]carbamoyl]benzoyl]amino]-2-sulfophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanylidene-5-[2-[4-[[4-[[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfo-naphthalen-1-yl)hydrazinyl]-3-sulfo-phenyl]carbamoyl]phenyl]carbonylamino]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C40H30N8O16S4
MOLECULAR WEIGHT: 1006.9702
SMILES: C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)S(=O)(=O)O)C(=O)NC5=CC(=C(C=C5)NNC6=C7C(=CC(=CC7=O)S(=O)(=O)O)C=CC6=N)S(=O)(=O)O
Structure:
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