(phenylmethyl) 1-[2-(diethylamino)-2-oxidanylidene-ethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-(diethylamino)-2-oxidanylidene-ethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-[2-(diethylamino)-2-oxo-ethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-(diethylamino)-2-oxoethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(diethylamino)-2-oxoethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(diethylamino)-2-keto-ethyl]-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CC1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-24(4-2)22(27)15-21-20-14-19(26(29)30)11-10-18(20)12-13-25(21)23(28)31-16-17-8-6-5-7-9-17/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3