[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C14H8BrN3O5S MolecularWeight: 410.19942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)[N+](=O)[O-])Br

InChI

InChI=1S/C14H8BrN3O5S/c15-10-2-1-8(5-11(10)18(21)22)14(20)23-7-12(19)17-13-9(6-16)3-4-24-13/h1-5H,7H2,(H,17,19)