[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5S/c25-20(15-29-22(26)19-11-12-21(30-19)24(27)28)23-14-13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H,23,25)