[3-[[4-nitro-2-[(phenylmethyl)carbamoyl]phenyl]amino]cyclopentyl] benzoate

Systemtic Name: [3-[[4-nitro-2-[(phenylmethyl)carbamoyl]phenyl]amino]cyclopentyl] benzoate Openeye Name: [3-[2-(benzylcarbamoyl)-4-nitro-anilino]cyclopentyl] benzoate CAS Name: benzoic acid [3-[4-nitro-2-[oxo-[(phenylmethyl)amino]methyl]anilino]cyclopentyl] ester IUPAC Name: [3-[2-(benzylcarbamoyl)-4-nitroanilino]cyclopentyl] benzoate Traditional Name: benzoic acid [3-[2-(benzylcarbamoyl)-4-nitro-anilino]cyclopentyl] ester Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5/c30-25(27-17-18-7-3-1-4-8-18)23-16-21(29(32)33)12-14-24(23)28-20-11-13-22(15-20)34-26(31)19-9-5-2-6-10-19/h1-10,12,14,16,20,22,28H,11,13,15,17H2,(H,27,30)