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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide Openeye Name: N-[1-(3-isopropoxyphenyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide Traditional Name: N-[1-(3-isopropoxyphenyl)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C22H25N3O6/c1-14(2)30-18-7-4-6-16(12-18)15(3)23-21(26)8-5-11-24-19-10-9-17(25(28)29)13-20(19)31-22(24)27/h4,6-7,9-10,12-15H,5,8,11H2,1-3H3,(H,23,26)