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

Systemtic Name: [2-methoxy-4-[(E)-C-methyl-N-[2-(4-nitropyrazol-1-yl)ethanoylamino]carbonimidoyl]phenyl] 2-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-methoxy-4-[(1E)-1-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-methoxy-4-[(E)-C-methyl-N-[[2-(4-nitropyrazol-1-yl)acetyl]amino]carbonimidoyl]phenyl] ester Formula: C21H18N6O8 MolecularWeight: 482.40302

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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=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O8/c1-13(23-24-20(28)12-25-11-15(10-22-25)26(30)31)14-7-8-18(19(9-14)34-2)35-21(29)16-5-3-4-6-17(16)27(32)33/h3-11H,12H2,1-2H3,(H,24,28)/b23-13+