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

Systemtic Name: 4-chloranyl-N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-chloro-3-nitro-benzamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-chloro-3-nitrobenzamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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