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

Systemtic Name: [4-[(E)-C-methyl-N-[2-(4-nitropyrazol-1-yl)ethanoylamino]carbonimidoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] ester Formula: C20H16N6O7 MolecularWeight: 452.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O7/c1-13(22-23-19(27)12-24-11-17(10-21-24)26(31)32)14-4-8-18(9-5-14)33-20(28)15-2-6-16(7-3-15)25(29)30/h2-11H,12H2,1H3,(H,23,27)/b22-13+