[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)CO

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C17H16N2O7/c1-25-15-8-13(19(23)24)6-7-14(15)18-16(21)10-26-17(22)12-4-2-11(9-20)3-5-12/h2-8,20H,9-10H2,1H3,(H,18,21)