[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C18H13BrN4O5 MolecularWeight: 445.22362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O5/c19-12-7-5-11(6-8-12)14-9-15(22-21-14)18(25)28-10-17(24)20-13-3-1-2-4-16(13)23(26)27/h1-9H,10H2,(H,20,24)(H,21,22)