CAS RN: 54138-87-3
CAS Name: acetic acid [4,5-diacetyloxy-6-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H20ClN3O9
MOLECULAR WEIGHT: 409.7763
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 65757-04-2
CAS Name: 2-[[[4-[(2-imino-1,3-dimethyl-4-oxo-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-[[4-[(2-imino-1,3-dimethyl-4-oxo-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
IUPAC Name: dimethyl 2-[[4-[(2-imino-1,3-dimethyl-4-oxopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: dimethyl 2-[[4-[(2-azanylidene-1,3-dimethyl-4-oxidanylidene-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C23H27N7O6
MOLECULAR WEIGHT: 497.50378
SMILES: CN1C2=NC=C(N=C2C(=O)N(C1=N)C)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)OC)C(=O)OC
Structure:
CAS RN: 58976-89-9
CAS Name: 6,11-dimethoxy-7,10-dihydrotetracene-5,12-dione
OPENEYE Name: 6,11-dimethoxy-7,10-dihydrotetracene-5,12-dione
IUPAC Name: 6,11-dimethoxy-7,10-dihydrotetracene-5,12-dione
SYSTEMATIC NAME: 6,11-dimethoxy-7,10-dihydrotetracene-5,12-dione
MOLECULAR FORMULA: C20H16O4
MOLECULAR WEIGHT: 320.33864
SMILES: COC1=C2CC=CCC2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)OC
Structure:
CAS RN: 51837-73-1
CAS Name: 1,4,8-trimethoxy-2-methylanthracene-9,10-dione
OPENEYE Name: 1,4,8-trimethoxy-2-methyl-anthracene-9,10-dione
IUPAC Name: 1,4,8-trimethoxy-2-methylanthracene-9,10-dione
SYSTEMATIC NAME: 1,4,8-trimethoxy-2-methyl-anthracene-9,10-dione
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: CC1=CC(=C2C(=C1OC)C(=O)C3=C(C2=O)C=CC=C3OC)OC
Structure:
CAS RN: 51837-72-0
CAS Name: 2-[(2,5-dimethoxy-4-methylphenyl)-oxomethyl]-3-methoxybenzoic acid
OPENEYE Name: 2-(2,5-dimethoxy-4-methyl-benzoyl)-3-methoxy-benzoic acid
IUPAC Name: 2-(2,5-dimethoxy-4-methylbenzoyl)-3-methoxybenzoic acid
SYSTEMATIC NAME: 2-(2,5-dimethoxy-4-methyl-phenyl)carbonyl-3-methoxy-benzoic acid
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: CC1=C(C=C(C(=C1)OC)C(=O)C2=C(C=CC=C2OC)C(=O)O)OC
Structure:
CAS RN: 68381-74-8
CAS Name: methanesulfonic acid [4-methylsulfonyloxy-3-[3-(2-phenylphenoxy)propylsulfonyl]butyl] ester
OPENEYE Name: [4-methylsulfonyloxy-3-[3-(2-phenylphenoxy)propylsulfonyl]butyl] methanesulfonate
IUPAC Name: [4-methylsulfonyloxy-3-[3-(2-phenylphenoxy)propylsulfonyl]butyl] methanesulfonate
SYSTEMATIC NAME: [4-methylsulfonyloxy-3-[3-(2-phenylphenoxy)propylsulfonyl]butyl] methanesulfonate
MOLECULAR FORMULA: C21H28O9S3
MOLECULAR WEIGHT: 520.63662
SMILES: CS(=O)(=O)OCCC(COS(=O)(=O)C)S(=O)(=O)CCCOC1=CC=CC=C1C2=CC=CC=C2
Structure:
CAS RN: 57420-08-3
CAS Name: 3-methyl-4-phenyl-2-pyridinecarbonitrile
OPENEYE Name: 3-methyl-4-phenyl-pyridine-2-carbonitrile
IUPAC Name: 3-methyl-4-phenylpyridine-2-carbonitrile
SYSTEMATIC NAME: 3-methyl-4-phenyl-pyridine-2-carbonitrile
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: CC1=C(C=CN=C1C#N)C2=CC=CC=C2
Structure:
CAS RN: 55057-72-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H9NO5
MOLECULAR WEIGHT: 223.18216
SMILES: CC(=O)ON1C(=O)C2C3C=CC(C2C1=O)O3
Structure:
CAS RN: 55029-20-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: C1=CC2C3C(C1O2)C(=O)N(C3=O)O
Structure:
CAS RN: 36895-12-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: CC(C)[C@@H]1[C@]23[C@H](O2)C4C5[C@@](C3=CC(=O)O1)(CC[C@@H](C5(C(=O)O4)C)O)C
Structure:
CAS RN: 54141-72-9
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-chroman-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C21H22O11
MOLECULAR WEIGHT: 450.39278
SMILES: CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
Structure:
CAS RN: 54845-15-7
CAS Name: carbamic acid [3-[bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] ester
OPENEYE Name: [3-[bis(2-chloroethyl)amino]-5-carbamoyloxy-phenyl] carbamate
IUPAC Name: [3-[bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate
SYSTEMATIC NAME: [3-aminocarbonyloxy-5-[bis(2-chloroethyl)amino]phenyl] carbamate
MOLECULAR FORMULA: C12H15Cl2N3O4
MOLECULAR WEIGHT: 336.1712
SMILES: C1=C(C=C(C=C1OC(=O)N)OC(=O)N)N(CCCl)CCCl
Structure:
CAS RN: 71007-61-9
CAS Name: 3-hydroxy-2-methoxy-4-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
OPENEYE Name: 4-allyl-3-hydroxy-2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
IUPAC Name: 3-hydroxy-2-methoxy-4-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SYSTEMATIC NAME: 2-methoxy-3-oxidanyl-4-prop-2-enyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: COC1=C(C(=C2C(=C1)CCCCC2=O)CC=C)O
Structure:
CAS RN: 15288-01-4
CAS Name: 7-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 7-hydroxy-6-methoxy-tetralin-1-one
IUPAC Name: 7-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 6-methoxy-7-oxidanyl-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC1=C(C=C2C(=C1)CCCC2=O)O
Structure:
CAS RN: 15288-02-5
CAS Name: 6-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 6-hydroxy-7-methoxy-tetralin-1-one
IUPAC Name: 6-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 7-methoxy-6-oxidanyl-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC1=C(C=C2CCCC(=O)C2=C1)O
Structure:
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