[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester Formula: C24H23N5O7 MolecularWeight: 493.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O7/c1-4-35-18-11-14(8-9-17(18)36-24(32)15-6-5-7-16(10-15)29(33)34)21(19-12(2)25-27-22(19)30)20-13(3)26-28-23(20)31/h5-11,21H,4H2,1-3H3,(H2,25,27,30)(H2,26,28,31)