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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-ethoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-ethoxy-phenyl] ester Formula: C25H19N3O7 MolecularWeight: 473.43426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7/c1-2-34-22-15-16(14-20-23(29)26-27(24(20)30)18-6-4-3-5-7-18)8-13-21(22)35-25(31)17-9-11-19(12-10-17)28(32)33/h3-15H,2H2,1H3,(H,26,29)