4-[3-nitro-4-[[(2R)-1-oxidanylbutan-2-yl]amino]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-nitro-4-[[(2R)-1-oxidanylbutan-2-yl]amino]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[[(1R)-1-(hydroxymethyl)propyl]amino]-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-[[(2R)-1-hydroxybutan-2-yl]amino]-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[[(2R)-1-hydroxybutan-2-yl]amino]-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[[(1R)-1-methylolpropyl]amino]-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](CO)NC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-2-12(10-23)19-15-8-7-11(9-16(15)22(25)26)17-13-5-3-4-6-14(13)18(24)21-20-17/h3-9,12,19,23H,2,10H2,1H3,(H,21,24)/t12-/m1/s1