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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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