N-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(2-methyl-5-nitro-phenyl)phthalazine-1-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4/c1-3-4-7-12-24-21(27)17-9-6-5-8-16(17)19(23-24)20(26)22-18-13-15(25(28)29)11-10-14(18)2/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,26)