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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c22-17(20-9-8-13-4-1-2-5-15(13)12-20)11-19-18(23)14-6-3-7-16(10-14)21(24)25/h1-7,10H,8-9,11-12H2,(H,19,23)