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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate CAS Name: 2-[methyl-[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate Traditional Name: 2-[methyl(2-thenoyl)amino]benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2N(C)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2N(C)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c1-14-9-10-15(12-18(14)25(29)30)23-20(26)13-31-22(28)16-6-3-4-7-17(16)24(2)21(27)19-8-5-11-32-19/h3-12H,13H2,1-2H3,(H,23,26)