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

Systemtic Name: 2-chloranyl-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 2-chloro-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 2-chloro-5-nitro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-5-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 2-chloro-5-nitro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4/c1-2-18(24)22-8-7-12-3-4-14(9-13(12)11-22)21-19(25)16-10-15(23(26)27)5-6-17(16)20/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,25)