3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5/c29-23(33-14-6-13-27-21-10-5-4-9-20(21)26-24(27)30)18-11-12-19(22(15-18)28(31)32)25-16-17-7-2-1-3-8-17/h1-5,7-12,15,25H,6,13-14,16H2,(H,26,30)