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

Systemtic Name: [2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-6-nitro-phenyl] 4-methylbenzoate Openeye Name: [2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-nitro-phenyl] ester Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C24H17N3O6/c1-15-10-12-16(13-11-15)24(30)33-21-17(6-5-9-20(21)27(31)32)14-19-22(28)25-26(23(19)29)18-7-3-2-4-8-18/h2-14H,1H3,(H,25,28)