4-methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-(1-pyrrolidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-methyl-2-(2-nitro-5-pyrrolidino-phenyl)phthalazin-1-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCC4)[N+](=O)[O-]

InChI

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