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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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)C(=O)OCC2=NC3=CC=CC=C3N=C2C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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