N-(2-methoxy-5-nitro-phenyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]ylamino)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propionamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C22H25N3O6/c1-14(21(26)24-17-13-16(25(27)28)7-9-18(17)29-2)23-15-6-8-19-20(12-15)31-22(30-19)10-4-3-5-11-22/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,26)