N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H30N4O5/c1-23(2)21(11-5-3-4-6-12-21)15-22-19(26)8-7-13-24-17-10-9-16(25(28)29)14-18(17)30-20(24)27/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,22,26)