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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-20-16-10-9-15(12-17(16)22(25)26)19(24)27-13-18(23)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,20H,5,8,11,13H2,1H3,(H,21,23)