[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-chlorobenzyl)amino]-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O5/c1-12(2)22-18(24)11-28-19(25)13-7-8-16(17(9-13)23(26)27)21-10-14-5-3-4-6-15(14)20/h3-9,12,21H,10-11H2,1-2H3,(H,22,24)