[2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[[(4-chlorophenyl)-phenyl-methyl]amino]-2-keto-ethyl] ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O5S/c21-15-8-6-14(7-9-15)19(13-4-2-1-3-5-13)22-17(24)12-28-20(25)16-10-11-18(29-16)23(26)27/h1-11,19H,12H2,(H,22,24)