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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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