N-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-[4-(methylamino)-3-nitro-phenyl]methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-[4-(methylamino)-3-nitro-benzylidene]amino]-3-propyl-phthalazine-1-carboxamide Formula: C20H20N6O4 MolecularWeight: 408.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c1-3-10-25-20(28)15-7-5-4-6-14(15)18(24-25)19(27)23-22-12-13-8-9-16(21-2)17(11-13)26(29)30/h4-9,11-12,21H,3,10H2,1-2H3,(H,23,27)/b22-12+