4-[(Z)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[(3-butyl-4-oxo-phthalazine-1-carbonyl)hydrazono]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazinylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[(3-butyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[(3-butyl-4-keto-phthalazine-1-carbonyl)hydrazono]methyl]-2-nitro-phenolate Formula: C20H18N5O5- MolecularWeight: 408.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c1-2-3-10-24-20(28)15-7-5-4-6-14(15)18(23-24)19(27)22-21-12-13-8-9-17(26)16(11-13)25(29)30/h4-9,11-12,26H,2-3,10H2,1H3,(H,22,27)/p-1/b21-12-