N-(2-methoxy-5-nitro-phenyl)-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isopentyl-N-(2-methoxy-5-nitro-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isoamyl-4-keto-N-(2-methoxy-5-nitro-phenyl)phthalazine-1-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5/c1-13(2)10-11-24-21(27)16-7-5-4-6-15(16)19(23-24)20(26)22-17-12-14(25(28)29)8-9-18(17)30-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)