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

Systemtic Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid Openeye Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid CAS Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid IUPAC Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid Traditional Name: 3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propionic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C12H14N2O4/c15-12(16)4-6-13-5-3-9-1-2-11(14(17)18)7-10(9)8-13/h1-2,7H,3-6,8H2,(H,15,16)