[2-[(E)-C-methyl-N-[2-(4-nitropyrazol-1-yl)ethanoylamino]carbonimidoyl]phenyl] benzoate

Systemtic Name: [2-[(E)-C-methyl-N-[2-(4-nitropyrazol-1-yl)ethanoylamino]carbonimidoyl]phenyl] benzoate Openeye Name: [2-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] benzoate CAS Name: benzoic acid [2-[(1E)-1-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] ester Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C=C(C=N1)[N+](=O)[O-])C2=CC=CC=C2OC(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC(=O)CN1C=C(C=N1)[N+](=O)[O-])/C2=CC=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N5O5/c1-14(22-23-19(26)13-24-12-16(11-21-24)25(28)29)17-9-5-6-10-18(17)30-20(27)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,23,26)/b22-14+