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

Systemtic Name: 3-(5-azanyl-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid Openeye Name: 3-(5-amino-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid CAS Name: 3-(5-amino-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid IUPAC Name: 3-(5-amino-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propanoic acid Traditional Name: 3-(5-amino-2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-8-yl)propionic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=C(C=C2N)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

CN1CCC2=C(C1)C(=C(C=C2N)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C13H17N3O4/c1-15-5-4-8-10(7-15)9(2-3-13(17)18)12(16(19)20)6-11(8)14/h6H,2-5,7,14H2,1H3,(H,17,18)