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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7/c1-3-14-30-19-10-4-16(5-11-19)20(25)12-13-21(26)31-15(2)22(27)23-17-6-8-18(9-7-17)24(28)29/h4-11,15H,3,12-14H2,1-2H3,(H,23,27)