[2-[(E)-[(6-methylpyridin-3-yl)carbonylhydrazinylidene]methyl]-4-nitro-phenyl] benzoate

Systemtic Name: [2-[(E)-[(6-methylpyridin-3-yl)carbonylhydrazinylidene]methyl]-4-nitro-phenyl] benzoate Openeye Name: [2-[(E)-[(6-methylpyridine-3-carbonyl)hydrazono]methyl]-4-nitro-phenyl] benzoate CAS Name: benzoic acid [2-[(E)-[[(6-methyl-3-pyridinyl)-oxomethyl]hydrazinylidene]methyl]-4-nitrophenyl] ester IUPAC Name: [2-[(E)-[(6-methylpyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenyl] benzoate Traditional Name: benzoic acid [2-[(E)-[(6-methylnicotinoyl)hydrazono]methyl]-4-nitro-phenyl] ester Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N4O5/c1-14-7-8-16(12-22-14)20(26)24-23-13-17-11-18(25(28)29)9-10-19(17)30-21(27)15-5-3-2-4-6-15/h2-13H,1H3,(H,24,26)/b23-13+