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

Systemtic Name: propan-2-yl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: isopropyl 4-[(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 4-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid isopropyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-14(2)30-21(26)15-3-6-17(7-4-15)22-20(25)16-5-8-18(19(13-16)24(27)28)23-9-11-29-12-10-23/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)