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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O4/c1-10-15(20-14-5-3-2-4-13(14)19-10)9-25-17(22)11-6-7-12(18)16(8-11)21(23)24/h2-8H,9H2,1H3