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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c1-12-16(21-15-7-5-4-6-14(15)20-12)11-27-19(24)13-8-9-17(22(2)3)18(10-13)23(25)26/h4-10H,11H2,1-3H3