[1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(dibenzylamino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5S/c1-16(29-22(26)19-12-13-20(30-19)24(27)28)21(25)23(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3