4-chloranyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O3/c1-20-7-6-11-2-4-14(8-13(11)10-20)19-17(22)12-3-5-15(18)16(9-12)21(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)