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

Systemtic Name: 3-butyl-N-[(Z)-(4-methyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-(4-methyl-3-nitro-phenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(Z)-(4-methyl-3-nitro-benzylidene)amino]phthalazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-3-4-11-25-21(28)17-8-6-5-7-16(17)19(24-25)20(27)23-22-13-15-10-9-14(2)18(12-15)26(29)30/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,27)/b22-13-