(3-methylquinoxalin-2-yl)methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-11-15(20-14-6-4-3-5-13(14)19-11)10-26-18(22)12-7-8-17(25-2)16(9-12)21(23)24/h3-9H,10H2,1-2H3