N-(3,5-dimethoxyphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)OC

InChI

InChI=1S/C19H19N3O7/c1-27-14-8-12(9-15(11-14)28-2)20-18(23)4-3-7-21-16-6-5-13(22(25)26)10-17(16)29-19(21)24/h5-6,8-11H,3-4,7H2,1-2H3,(H,20,23)