3-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propyl]-6-nitro-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propyl]-6-nitro-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propyl]-6-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propyl]-6-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propyl]-6-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propyl]-1-keto-6-nitro-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(C(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CCCN1C(C(C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O7/c1-23(2)8-3-9-24-20(13-4-7-17-18(10-13)32-12-31-17)19(22(27)28)16-11-14(25(29)30)5-6-15(16)21(24)26/h4-7,10-11,19-20H,3,8-9,12H2,1-2H3,(H,27,28)