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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C17H12ClN3O4 MolecularWeight: 357.74788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O4/c1-10-16(20-15-5-3-2-4-14(15)19-10)9-25-17(22)12-7-6-11(21(23)24)8-13(12)18/h2-8H,9H2,1H3