2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[(2-chloro-5-nitrophenyl)methyl-methylamino]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[(2-chloro-5-nitro-benzyl)-methyl-amino]methyl]-4-methyl-phthalazin-1-one Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O3/c1-12-15-5-3-4-6-16(15)18(24)22(20-12)11-21(2)10-13-9-14(23(25)26)7-8-17(13)19/h3-9H,10-11H2,1-2H3