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

Systemtic Name: 2-(4-chloranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-methyl-phthalazin-1-one Openeye Name: 2-(4-chloro-2-nitro-5-pyrrolidin-1-yl-phenyl)-4-methyl-phthalazin-1-one CAS Name: 2-[4-chloro-2-nitro-5-(1-pyrrolidinyl)phenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-(4-chloro-2-nitro-5-pyrrolidin-1-ylphenyl)-4-methylphthalazin-1-one Traditional Name: 2-(4-chloro-2-nitro-5-pyrrolidino-phenyl)-4-methyl-phthalazin-1-one Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3/c1-12-13-6-2-3-7-14(13)19(25)23(21-12)17-11-16(22-8-4-5-9-22)15(20)10-18(17)24(26)27/h2-3,6-7,10-11H,4-5,8-9H2,1H3