(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

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