[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl 2-(1H-benzimidazol-2-yl)benzoate CAS Name: 2-(1H-benzimidazol-2-yl)benzoic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate Traditional Name: 2-(1H-benzimidazol-2-yl)benzoic acid 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H22N4O5/c1-3-22(24(30)28-21-14-16(29(32)33)13-12-15(21)2)34-25(31)18-9-5-4-8-17(18)23-26-19-10-6-7-11-20(19)27-23/h4-14,22H,3H2,1-2H3,(H,26,27)(H,28,30)