(2-chloranyl-4-nitro-phenyl)methyl 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4H-quinoxalin-2-yl)propionic acid (2-chloro-4-nitro-benzyl) ester Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O5/c19-13-9-12(22(25)26)6-5-11(13)10-27-17(23)8-7-16-18(24)21-15-4-2-1-3-14(15)20-16/h1-6,9H,7-8,10H2,(H,21,24)