2-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(3-methyl-4-oxophthalazine-1-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C17H13N4O5- MolecularWeight: 353.30892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H14N4O5/c1-20-17(24)13-5-3-2-4-12(13)15(19-20)16(23)18-9-10-8-11(21(25)26)6-7-14(10)22/h2-8,22H,9H2,1H3,(H,18,23)/p-1