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

Systemtic Name: [4-[(E)-C-methyl-N-[2-(4-nitropyrazol-1-yl)ethanoylamino]carbonimidoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(1E)-1-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=NNC(=O)CN3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C(=N/NC(=O)CN3C=C(C=N3)[N+](=O)[O-])/C

InChI

InChI=1S/C21H19N5O5/c1-14-3-5-17(6-4-14)21(28)31-19-9-7-16(8-10-19)15(2)23-24-20(27)13-25-12-18(11-22-25)26(29)30/h3-12H,13H2,1-2H3,(H,24,27)/b23-15+