[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-hydroxyphenyl)benzoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H18N2O6/c1-14(21(26)23-19-4-2-3-5-20(19)24(28)29)30-22(27)17-8-6-15(7-9-17)16-10-12-18(25)13-11-16/h2-14,25H,1H3,(H,23,26)/t14-/m1/s1