2-[(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)amino]acetic acid CAS Name: 2-[(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)amino]acetic acid Traditional Name: 2-[benzyl-(6-nitro-1,2,3,4-tetrahydroquinolin-5-yl)amino]acetic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2N(CC3=CC=CC=C3)CC(=O)O)[N+](=O)[O-])NC1

Isomeric SMILES

C1CC2=C(C=CC(=C2N(CC3=CC=CC=C3)CC(=O)O)[N+](=O)[O-])NC1

InChI

InChI=1S/C18H19N3O4/c22-17(23)12-20(11-13-5-2-1-3-6-13)18-14-7-4-10-19-15(14)8-9-16(18)21(24)25/h1-3,5-6,8-9,19H,4,7,10-12H2,(H,22,23)