[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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