sodium 3-ethanoyl-1-(4-methyl-2-nitro-phenyl)-4,5-bis(oxidanylidene)pyrrol-2-olate

Systemtic Name: sodium 3-ethanoyl-1-(4-methyl-2-nitro-phenyl)-4,5-bis(oxidanylidene)pyrrol-2-olate Openeye Name: sodium 3-acetyl-1-(4-methyl-2-nitro-phenyl)-4,5-dioxo-pyrrol-2-olate CAS Name: sodium 3-acetyl-1-(4-methyl-2-nitrophenyl)-4,5-dioxo-2-pyrrololate IUPAC Name: sodium 3-acetyl-1-(4-methyl-2-nitrophenyl)-4,5-dioxopyrrol-2-olate Traditional Name: sodium 3-acetyl-4,5-diketo-1-(4-methyl-2-nitro-phenyl)-2-pyrrolin-2-olate Formula: C13H9N2NaO6 MolecularWeight: 312.21013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=O)C2=O)C(=O)C)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=O)C2=O)C(=O)C)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C13H10N2O6.Na/c1-6-3-4-8(9(5-6)15(20)21)14-12(18)10(7(2)16)11(17)13(14)19;/h3-5,18H,1-2H3;/q;+1/p-1