4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H25N3O7/c1-3-31-20-9-15-7-8-24(12-16(15)10-21(20)32-4-2)22(27)13-25-18-11-17(26(29)30)5-6-19(18)33-14-23(25)28/h5-6,9-11H,3-4,7-8,12-14H2,1-2H3