2-[[2-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(3,6-diketo-1H-pyridazin-2-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C13H11N4O6- MolecularWeight: 319.24964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)CN2C(=O)C=CC(=O)N2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)CN2C(=O)C=CC(=O)N2)[O-]

InChI

InChI=1S/C13H12N4O6/c18-10-2-1-9(17(22)23)5-8(10)6-14-12(20)7-16-13(21)4-3-11(19)15-16/h1-5,18H,6-7H2,(H,14,20)(H,15,19)/p-1