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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-18-14-8-7-13(9-15(14)20(23)24)17(22)25-11-16(21)19-10-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3,(H,19,21)