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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-3-4-7-12-26-22(29)18-9-6-5-8-17(18)20(25-26)21(28)24-23-14-16-11-10-15(2)19(13-16)27(30)31/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,24,28)/b23-14-