2-[(E)-[2-(2-methyl-5-nitro-imidazol-1-yl)ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[2-(2-methyl-5-nitro-imidazol-1-yl)ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[[2-(2-methyl-5-nitro-imidazol-1-yl)acetyl]hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[2-(2-methyl-5-nitro-1-imidazolyl)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-(2-methyl-5-nitro-imidazol-1-yl)acetyl]hydrazono]methyl]benzoic acid Formula: C14H13N5O5 MolecularWeight: 331.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NN=CC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)N/N=C/C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O5/c1-9-15-7-13(19(23)24)18(9)8-12(20)17-16-6-10-4-2-3-5-11(10)14(21)22/h2-7H,8H2,1H3,(H,17,20)(H,21,22)/b16-6+