[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-3-14-7-9-16(10-8-14)22-19(25)13(2)29-18(24)12-21-20(26)15-5-4-6-17(11-15)23(27)28/h4-11,13H,3,12H2,1-2H3,(H,21,26)(H,22,25)