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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

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