3-butyl-N-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(Z)-(4-ethyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-(4-ethyl-3-nitro-phenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-(4-ethyl-3-nitrophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(Z)-(4-ethyl-3-nitro-benzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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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)CC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-3-5-12-26-22(29)18-9-7-6-8-17(18)20(25-26)21(28)24-23-14-15-10-11-16(4-2)19(13-15)27(30)31/h6-11,13-14H,3-5,12H2,1-2H3,(H,24,28)/b23-14-