N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C25H21ClN4O5 MolecularWeight: 492.91104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C25H21ClN4O5/c1-15-2-6-20-23(12-15)35-25(28-20)16-3-5-19(26)21(13-16)27-24(31)18-14-17(30(32)33)4-7-22(18)29-8-10-34-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,27,31)