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

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C24H17N3O7 MolecularWeight: 459.40768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C24H17N3O7/c1-33-21-14-15(13-19-22(28)25-26(23(19)29)17-5-3-2-4-6-17)7-12-20(21)34-24(30)16-8-10-18(11-9-16)27(31)32/h2-14H,1H3,(H,25,28)