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

Systemtic Name: 2-methoxy-4-[(E)-[1-(4-methylphenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]-6-nitro-phenolate Openeye Name: 4-[(E)-[3,5-dioxo-1-(p-tolyl)pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-[1-(4-methylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]-6-nitrophenolate Traditional Name: 4-[(E)-[3,5-diketo-1-(p-tolyl)pyrazolidin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H14N3O6- MolecularWeight: 368.32026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-10-3-5-12(6-4-10)20-18(24)13(17(23)19-20)7-11-8-14(21(25)26)16(22)15(9-11)27-2/h3-9,22H,1-2H3,(H,19,23)/p-1/b13-7+