N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-27-17-7-6-14(10-16(17)22(25)26)19(24)20-11-18(23)21-9-8-13-4-2-3-5-15(13)12-21/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)