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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenyl] benzoate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] ester Formula: C23H15N3O6 MolecularWeight: 429.3817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O6/c27-21-18(22(28)25(24-21)17-11-5-2-6-12-17)14-16-10-7-13-19(26(30)31)20(16)32-23(29)15-8-3-1-4-9-15/h1-14H,(H,24,27)