[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-4-imidazolecarboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)imidazole-4-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12ClFN4O5 MolecularWeight: 418.763083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=CC=C1N2C=NC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C18H12ClFN4O5/c19-14-7-13(24(27)28)5-6-15(14)22-17(25)9-29-18(26)16-8-21-10-23(16)12-3-1-11(20)2-4-12/h1-8,10H,9H2,(H,22,25)