[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(hydroxymethyl)-2-methyl-3-furancarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-methylol-furan-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(OC(=C2)CO)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(OC(=C2)CO)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7/c1-9-3-4-11(5-14(9)18(22)23)17-15(20)8-24-16(21)13-6-12(7-19)25-10(13)2/h3-6,19H,7-8H2,1-2H3,(H,17,20)