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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H15ClN2O6 MolecularWeight: 414.7959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O6/c1-12-15(9-10-28-12)20(25)29-18(13-5-3-2-4-6-13)19(24)22-14-7-8-16(21)17(11-14)23(26)27/h2-11,18H,1H3,(H,22,24)