[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-3-29-18-10-4-15(5-11-18)19(24)12-13-20(25)30-14(2)21(26)22-16-6-8-17(9-7-16)23(27)28/h4-11,14H,3,12-13H2,1-2H3,(H,22,26)