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

Systemtic Name: 5-chloranyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-nitro-benzamide Openeye Name: 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-nitro-benzamide CAS Name: 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-nitrobenzamide IUPAC Name: 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-nitrobenzamide Traditional Name: 5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3OC)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O4/c1-21-7-6-12-11(10-21)4-3-5-15(12)20-18(23)13-8-14(19)16(22(24)25)9-17(13)26-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,20,23)