4-(4-chloranyl-2-nitro-phenoxy)-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-N-(2,5-diethoxy-4-morpholino-phenyl)benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-(2,5-diethoxy-4-morpholino-phenyl)benzamide Formula: C27H28ClN3O7 MolecularWeight: 541.98012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H28ClN3O7/c1-3-36-25-17-22(30-11-13-35-14-12-30)26(37-4-2)16-21(25)29-27(32)18-5-8-20(9-6-18)38-24-10-7-19(28)15-23(24)31(33)34/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,32)