[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H9BrN2O5S MolecularWeight: 385.18996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-])N

InChI

InChI=1S/C13H9BrN2O5S/c14-12-4-3-11(22-12)10(17)6-21-13(18)7-1-2-8(15)9(5-7)16(19)20/h1-5H,6,15H2