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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-chloranyl-phenyl] 4-nitrobenzoate Openeye Name: [4-chloro-2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-chloro-2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-chloro-2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] ester Formula: C23H14ClN3O6 MolecularWeight: 463.82676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C23H14ClN3O6/c24-16-8-11-20(33-23(30)14-6-9-18(10-7-14)27(31)32)15(12-16)13-19-21(28)25-26(22(19)29)17-4-2-1-3-5-17/h1-13H,(H,25,28)