[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenyl] 4-chloranylbenzoate

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenyl] 4-chloranylbenzoate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-6-nitrophenyl] ester IUPAC Name: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-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)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

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

InChI

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