N-[1-(3,4-diethoxyphenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[1-(3,4-diethoxyphenyl)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)OCC

InChI

InChI=1S/C23H27N3O7/c1-4-31-19-11-8-16(13-21(19)32-5-2)15(3)24-22(27)7-6-12-25-18-10-9-17(26(29)30)14-20(18)33-23(25)28/h8-11,13-15H,4-7,12H2,1-3H3,(H,24,27)