(4-quinoxalin-2-ylphenyl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-quinoxalin-2-ylphenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl]methyl ester IUPAC Name: (4-quinoxalin-2-ylphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-quinoxalin-2-ylbenzyl) ester Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4/c1-15-12-18(10-11-22(15)26(28)29)23(27)30-14-16-6-8-17(9-7-16)21-13-24-19-4-2-3-5-20(19)25-21/h2-13H,14H2,1H3