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

Systemtic Name: N,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N,4-dimethyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N,4-dimethyl-3-nitro-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)CN(C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-14-8-9-17(12-19(14)24(27)28)21(26)22(3)13-20(25)23-11-10-16-6-4-5-7-18(16)15(23)2/h4-9,12,15H,10-11,13H2,1-3H3