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

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O4/c1-14-12-16(8-11-21(14)25(27)28)22(26)29-17-9-6-15(7-10-17)20-13-23-18-4-2-3-5-19(18)24-20/h2-13H,1H3