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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4/c1-11-16(21-14-6-4-3-5-13(14)20-11)10-26-18(23)12-7-8-15(19-2)17(9-12)22(24)25/h3-9,19H,10H2,1-2H3