4-[[1-(3,4-dimethylphenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[1-(3,4-dimethylphenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[1-(3,4-dimethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[1-(3,4-dimethylphenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C19H16N3O6- MolecularWeight: 382.34684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)N2)C

InChI

InChI=1S/C19H17N3O6/c1-10-4-5-13(6-11(10)2)21-19(25)14(18(24)20-21)7-12-8-15(22(26)27)17(23)16(9-12)28-3/h4-9,23H,1-3H3,(H,20,24)/p-1