Wednesday, June 27, 2012

http://ChemLookup.com Compounds




CAS RN: 3422-02-4
CAS Name: N-phenylcarbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-phenylcarbamate
IUPAC Name: benzyl N-phenylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-phenylcarbamate
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1=CC=C(C=C1)COC(=O)NC2=CC=CC=C2
Structure:

CAS RN: 14034-62-9
CAS Name: 4-methylaniline; 4-methylbenzenesulfonic acid
OPENEYE Name: 4-methylaniline; 4-methylbenzenesulfonic acid
IUPAC Name: 4-methylaniline; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methylaniline; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C14H17NO3S
MOLECULAR WEIGHT: 279.35468
SMILES: CC1=CC=C(C=C1)N.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:

CAS RN: 27160-72-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CC=C1CN2CCC34C2CC1C(=C3NC5=C4C=C(C=C5)O)C(=O)OC
Structure:

CAS RN: 75963-64-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20O8
MOLECULAR WEIGHT: 412.3894
SMILES: CC1(C2(CC(O1)C3=C(C4=C(C(=C3C2)O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)OC
Structure:

CAS RN: 64845-65-4
CAS Name: 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]acetamide
OPENEYE Name: 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]acetamide
IUPAC Name: 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[6-[[(1S,3S)-3-(1-hydroxyethyl)-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]ethanamide
MOLECULAR FORMULA: C29H30F3NO11
MOLECULAR WEIGHT: 625.54381
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(C)O)O)NC(=O)C(F)(F)F)O
Structure:

CAS RN: 66974-91-2
CAS Name: N-(2-amino-2-oxoethyl)-2-(dimethylaminoazo)benzamide
OPENEYE Name: N-(2-amino-2-oxo-ethyl)-2-(dimethylaminoazo)benzamide
IUPAC Name: N-(2-amino-2-oxoethyl)-2-(dimethylaminodiazenyl)benzamide
SYSTEMATIC NAME: N-(2-azanyl-2-oxidanylidene-ethyl)-2-(dimethylaminodiazenyl)benzamide
MOLECULAR FORMULA: C11H15N5O2
MOLECULAR WEIGHT: 249.2691
SMILES: CN(C)N=NC1=CC=CC=C1C(=O)NCC(=O)N
Structure:

CAS RN: 66974-90-1
CAS Name: N-(cyanomethyl)-2-(dimethylaminoazo)benzamide
OPENEYE Name: N-(cyanomethyl)-2-(dimethylaminoazo)benzamide
IUPAC Name: N-(cyanomethyl)-2-(dimethylaminodiazenyl)benzamide
SYSTEMATIC NAME: N-(cyanomethyl)-2-(dimethylaminodiazenyl)benzamide
MOLECULAR FORMULA: C11H13N5O
MOLECULAR WEIGHT: 231.25382
SMILES: CN(C)N=NC1=CC=CC=C1C(=O)NCC#N
Structure:

CAS RN: 55890-19-2
CAS Name: 2-bromo-3-chloro-3,11,11-trimethyl-7-methylene-5-spiro[5.5]undec-9-enol
OPENEYE Name: 2-bromo-3-chloro-3,11,11-trimethyl-7-methylene-spiro[5.5]undec-9-en-5-ol
IUPAC Name: 2-bromo-3-chloro-3,11,11-trimethyl-7-methylidenespiro[5.5]undec-9-en-5-ol
SYSTEMATIC NAME: 2-bromanyl-3-chloranyl-3,11,11-trimethyl-7-methylidene-spiro[5.5]undec-9-en-5-ol
MOLECULAR FORMULA: C15H22BrClO
MOLECULAR WEIGHT: 333.69158
SMILES: CC1(C=CCC(=C)C12CC(C(CC2O)(C)Cl)Br)C
Structure:

CAS RN: 60217-82-5
CAS Name: 2-[bis(2-chloroethyl)amino]-5,5-dimethyl-2-oxo-1,3,2$l^{5}-oxazaphosphorinan-4-one
OPENEYE Name: 2-[bis(2-chloroethyl)amino]-5,5-dimethyl-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-one
IUPAC Name: 2-[bis(2-chloroethyl)amino]-5,5-dimethyl-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-one
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]-5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-oxazaphosphinan-4-one
MOLECULAR FORMULA: C9H17Cl2N2O3P
MOLECULAR WEIGHT: 303.122641
SMILES: CC1(COP(=O)(NC1=O)N(CCCl)CCCl)C
Structure:

CAS RN: 52752-14-4
CAS Name: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropanal
OPENEYE Name: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropanal
IUPAC Name: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropanal
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropanal
MOLECULAR FORMULA: C9H19Cl2N2O3P
MOLECULAR WEIGHT: 305.138521
SMILES: CN(C)P(=O)(N(CCCl)CCCl)OCCC=O
Structure:

CAS RN: 52752-15-5
CAS Name: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxy-1-propanol
OPENEYE Name: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropan-1-ol
IUPAC Name: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropan-1-ol
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino-(dimethylamino)phosphoryl]oxypropan-1-ol
MOLECULAR FORMULA: C9H21Cl2N2O3P
MOLECULAR WEIGHT: 307.154401
SMILES: CN(C)P(=O)(N(CCCl)CCCl)OCCCO
Structure:

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