2-methyl-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 2-methyl-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 2-methyl-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-(3-nitro-4-pyrrolidin-1-ylphenyl)phthalazin-1-one Traditional Name: 2-methyl-4-(3-nitro-4-pyrrolidino-phenyl)phthalazin-1-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3/c1-21-19(24)15-7-3-2-6-14(15)18(20-21)13-8-9-16(17(12-13)23(25)26)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3