[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17ClN4O6 MolecularWeight: 432.81448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O6/c1-22-14-4-2-3-5-15(14)23(19(22)27)9-8-18(26)30-11-17(25)21-13-7-6-12(20)10-16(13)24(28)29/h2-7,10H,8-9,11H2,1H3,(H,21,25)