[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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