[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-13(2)21-18(23)12-27-19(24)15-8-9-16(17(10-15)22(25)26)20-11-14-6-4-3-5-7-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,23)