[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5S/c23-17(13-27-20(24)16-11-12-18(28-16)22(25)26)21-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19H,13H2,(H,21,23)