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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-4-nitro-phenyl] 2-chloranylbenzoate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-4-nitro-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-4-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=CC=C4Cl)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=CC=C4Cl)C(=O)N2

InChI

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