[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C14H12BrN3O5 MolecularWeight: 382.16618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NC2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN3O5/c1-17-7-9(18(21)22)6-12(17)14(20)23-8-13(19)16-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,19)