[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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