(3-methylquinoxalin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H20N4O5/c1-14-19(23-18-5-3-2-4-17(18)22-14)13-30-21(26)16-12-15(25(27)28)6-7-20(16)24-8-10-29-11-9-24/h2-7,12H,8-11,13H2,1H3