[2-oxidanylidene-2-(phenethylamino)ethyl] 4-(ethylamino)-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

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