N-[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C27H25ClN4O5 MolecularWeight: 520.9642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)Cl

InChI

InChI=1S/C27H25ClN4O5/c1-16(2)17-3-8-25-23(13-17)30-27(37-25)20-14-18(4-6-22(20)28)29-26(33)21-15-19(32(34)35)5-7-24(21)31-9-11-36-12-10-31/h3-8,13-16H,9-12H2,1-2H3,(H,29,33)