(4-aminocarbonyl-2-nitro-phenyl)methyl 3-quinolin-2-ylpropanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-quinolin-2-ylpropanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c21-20(25)14-5-6-15(18(11-14)23(26)27)12-28-19(24)10-9-16-8-7-13-3-1-2-4-17(13)22-16/h1-8,11H,9-10,12H2,(H2,21,25)