methyl 2-methyl-6-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-6-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 2-methyl-6-[(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 2-methyl-6-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 2-methyl-6-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O6/c1-13-4-3-5-15(18(13)20(25)28-2)21-19(24)14-6-7-16(17(12-14)23(26)27)22-8-10-29-11-9-22/h3-7,12H,8-11H2,1-2H3,(H,21,24)