2-(5-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid

Systemtic Name: 2-(5-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid Openeye Name: 2-(5-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid CAS Name: 2-(5-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid IUPAC Name: 2-(5-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid Traditional Name: 2-(5-acetamido-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propionic acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C2=C1CN(CC2)C)NC(=O)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=C(C=C(C2=C1CN(CC2)C)NC(=O)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H19N3O5/c1-8(15(20)21)14-11-7-17(3)5-4-10(11)12(16-9(2)19)6-13(14)18(22)23/h6,8H,4-5,7H2,1-3H3,(H,16,19)(H,20,21)