4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-nitro-benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-nitro-benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-nitro-benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-nitrobenzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-nitrobenzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-nitro-benzamide Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c18-17(21)13-5-6-15(16(9-13)20(22)23)11-19-8-7-12-3-1-2-4-14(12)10-19/h1-6,9H,7-8,10-11H2,(H2,18,21)