(3-methylquinoxalin-2-yl)methyl 2-methyl-6-nitro-benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-6-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C18H15N3O4/c1-11-6-5-9-16(21(23)24)17(11)18(22)25-10-15-12(2)19-13-7-3-4-8-14(13)20-15/h3-9H,10H2,1-2H3