[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S/c23-16(19-20-17(24)15-4-3-9-29-15)11-28-18(25)12-5-6-13(14(10-12)22(26)27)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,11H2,(H,19,23)(H,20,24)