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

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19ClN2O7 MolecularWeight: 434.82706

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O7/c1-2-29-15-6-3-13(4-7-15)18(24)9-10-20(26)30-12-19(25)22-17-11-14(23(27)28)5-8-16(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)