(2-methoxy-5-nitro-phenyl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H25N3O6/c1-3-4-13-25-20-8-6-5-7-18(20)24-19(23(25)28)10-12-22(27)32-15-16-14-17(26(29)30)9-11-21(16)31-2/h5-9,11,14H,3-4,10,12-13,15H2,1-2H3