[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C20H19ClN4O6 MolecularWeight: 446.84106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O6/c21-14-3-6-16-17(11-14)24(9-10-26)18(23-16)12-31-19(27)7-8-22-20(28)13-1-4-15(5-2-13)25(29)30/h1-6,11,26H,7-10,12H2,(H,22,28)