[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C15H12Br2N2O5S MolecularWeight: 492.13918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

C1=CSC=C1CCC(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C15H12Br2N2O5S/c16-11-5-10(19(22)23)6-12(17)15(11)18-13(20)7-24-14(21)2-1-9-3-4-25-8-9/h3-6,8H,1-2,7H2,(H,18,20)