(3R,4S)-2-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4S)-2-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-2-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-2-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-2-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-1-keto-2-methyl-3-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H14N2O7 MolecularWeight: 370.31296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CN1[C@H]([C@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H14N2O7/c1-19-16(11-6-13-14(27-8-26-13)7-12(11)20(24)25)15(18(22)23)9-4-2-3-5-10(9)17(19)21/h2-7,15-16H,8H2,1H3,(H,22,23)/t15-,16-/m0/s1