3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-13-11-14(7-8-16(13)24(28)29)19(26)21-12-18(25)30-10-4-9-23-17-6-3-2-5-15(17)22-20(23)27/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,21,26)(H,22,27)