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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C14H11BrN2O5S MolecularWeight: 399.21654

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O5S/c1-16-9-3-2-8(6-10(9)17(20)21)14(19)22-7-11(18)12-4-5-13(15)23-12/h2-6,16H,7H2,1H3