[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c19-9-11-4-6-12(7-5-11)16(21)24-10-15(20)17-13-2-1-3-14(8-13)18(22)23/h1-8,19H,9-10H2,(H,17,20)