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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(3-phenylmethoxypropyl)butanamide Openeye Name: N-(3-benzyloxypropyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylmethoxypropyl)butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylmethoxypropyl)butanamide Traditional Name: N-(3-benzoxypropyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c25-20(22-11-5-13-29-15-16-6-2-1-3-7-16)8-4-12-23-18-10-9-17(24(27)28)14-19(18)30-21(23)26/h1-3,6-7,9-10,14H,4-5,8,11-13,15H2,(H,22,25)