4-[4-[hydroxymethyl(propyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[hydroxymethyl(propyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[hydroxymethyl(propyl)amino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-[hydroxymethyl(propyl)amino]-3-nitrophenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[hydroxymethyl(propyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 2-methyl-4-[4-[methylol(propyl)amino]-3-nitro-phenyl]phthalazin-1-one Formula: C19H20N4O4 MolecularWeight: 368.3865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CO)C1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CO)C1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4/c1-3-10-22(12-24)16-9-8-13(11-17(16)23(26)27)18-14-6-4-5-7-15(14)19(25)21(2)20-18/h4-9,11,24H,3,10,12H2,1-2H3