(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c19-14(15-2-1-7-24-15)9-23-16(20)10-3-6-12(17-11-4-5-11)13(8-10)18(21)22/h1-3,6-8,11,17H,4-5,9H2