(4R)-3-methyl-4-[(S)-(3-nitrophenyl)-oxidanyl-methyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: (4R)-3-methyl-4-[(S)-(3-nitrophenyl)-oxidanyl-methyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: (4R)-4-[(S)-hydroxy-(3-nitrophenyl)methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)CC1C(C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=NNC(=O)C[C@H]1[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H13N3O4/c1-7-10(6-11(16)14-13-7)12(17)8-3-2-4-9(5-8)15(18)19/h2-5,10,12,17H,6H2,1H3,(H,14,16)/t10-,12-/m1/s1