[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O6/c1-27-10-9-20-17-8-7-15(22(25)26)11-16(17)19(24)28-13-18(23)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,23)