2-chloranyl-N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chloro-5-nitro-benzamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chloro-5-nitrobenzamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chloro-5-nitrobenzamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-chloro-5-nitro-benzamide Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O4/c1-11(23)21-7-6-12-2-3-14(8-13(12)10-21)20-18(24)16-9-15(22(25)26)4-5-17(16)19/h2-5,8-9H,6-7,10H2,1H3,(H,20,24)