[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylfuran-3-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6/c1-13-8-9-17(18(12-13)23(26)27)22-20(24)19(15-6-4-3-5-7-15)29-21(25)16-10-11-28-14(16)2/h3-12,19H,1-2H3,(H,22,24)