[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H18N2O6/c1-14-2-9-18(24(28)29)12-20(14)23-21(26)13-30-22(27)17-5-3-15(4-6-17)16-7-10-19(25)11-8-16/h2-12,25H,13H2,1H3,(H,23,26)