4-[(E)-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]benzoate Openeye Name: 4-[(E)-(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]benzoate CAS Name: 4-[(E)-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]benzoate IUPAC Name: 4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]benzoate Formula: C17H11N2O4- MolecularWeight: 307.28024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)[O-])/C(=O)N2

InChI

InChI=1S/C17H12N2O4/c20-15-14(10-11-6-8-12(9-7-11)17(22)23)16(21)19(18-15)13-4-2-1-3-5-13/h1-10H,(H,18,20)(H,22,23)/p-1/b14-10+