[2-methoxy-4-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-methoxy-4-[(E)-[2-(4-nitropyrazol-1-yl)ethanoylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-4-[(E)-[[2-(4-nitro-1-pyrazolyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-methoxy-4-[(E)-[[2-(4-nitropyrazol-1-yl)acetyl]hydrazono]methyl]phenyl] ester Formula: C20H16N6O8 MolecularWeight: 468.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CN2C=C(C=N2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CN2C=C(C=N2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O8/c1-33-18-8-13(9-21-23-19(27)12-24-11-16(10-22-24)26(31)32)2-7-17(18)34-20(28)14-3-5-15(6-4-14)25(29)30/h2-11H,12H2,1H3,(H,23,27)/b21-9+