3-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propyl]-7-nitro-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propyl]-7-nitro-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propyl]-7-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propyl]-7-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propyl]-7-nitro-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[3-(diethylamino)propyl]-1-keto-7-nitro-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O7/c1-3-25(4-2)10-5-11-26-22(15-6-9-19-20(12-15)34-14-33-19)21(24(29)30)17-8-7-16(27(31)32)13-18(17)23(26)28/h6-9,12-13,21-22H,3-5,10-11,14H2,1-2H3,(H,29,30)