[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H16N2O6S/c1-13-6-4-9-16(23(27)28)19(13)22-18(24)12-29-21(26)15-8-3-2-7-14(15)20(25)17-10-5-11-30-17/h2-11H,12H2,1H3,(H,22,24)