[2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylmethylcarbamoyl)anilino]ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[2-[(4-methylbenzyl)carbamoyl]anilino]ethyl] ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c1-14-6-8-15(9-7-14)12-23-21(27)16-4-2-3-5-17(16)24-19(26)13-31-22(28)18-10-11-20(32-18)25(29)30/h2-11H,12-13H2,1H3,(H,23,27)(H,24,26)