[(1R)-1-(3-nitrophenyl)ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)O[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-3-4-14-25-21-11-6-5-10-19(21)24-20(23(25)28)12-13-22(27)31-16(2)17-8-7-9-18(15-17)26(29)30/h5-11,15-16H,3-4,12-14H2,1-2H3/t16-/m1/s1