[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(2-methylbenzimidazol-1-yl)acetate CAS Name: 2-(2-methyl-1-benzimidazolyl)acetic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-methylbenzimidazol-1-yl)acetic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN4O5/c1-11-20-15-4-2-3-5-16(15)22(11)9-18(25)28-10-17(24)21-14-7-6-12(23(26)27)8-13(14)19/h2-8H,9-10H2,1H3,(H,21,24)