dimethyl 5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-morpholino-3-nitro-benzoyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-morpholino-3-nitro-benzoyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N3O8 MolecularWeight: 443.40674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H21N3O8/c1-30-20(26)14-9-15(21(27)31-2)11-16(10-14)22-19(25)13-3-4-17(18(12-13)24(28)29)23-5-7-32-8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)