[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(benzimidazol-1-yl)ethanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C18H15ClN4O5/c1-11(18(25)21-14-7-6-12(23(26)27)8-13(14)19)28-17(24)9-22-10-20-15-4-2-3-5-16(15)22/h2-8,10-11H,9H2,1H3,(H,21,25)