[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C14H9N3O5S/c15-7-10-4-5-23-13(10)16-12(18)8-22-14(19)9-2-1-3-11(6-9)17(20)21/h1-6H,8H2,(H,16,18)