2-[(Z)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[(Z)-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinylidene]methyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[(Z)-[(3-butyl-4-oxo-phthalazine-1-carbonyl)hydrazono]methyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[(Z)-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[(Z)-[(3-butyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[(Z)-[(3-butyl-4-keto-phthalazine-1-carbonyl)hydrazono]methyl]-4-chloro-6-nitro-phenolate Formula: C20H17ClN5O5- MolecularWeight: 442.83248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O5/c1-2-3-8-25-20(29)15-7-5-4-6-14(15)17(24-25)19(28)23-22-11-12-9-13(21)10-16(18(12)27)26(30)31/h4-7,9-11,27H,2-3,8H2,1H3,(H,23,28)/p-1/b22-11-