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

Systemtic Name: N-(3,4-diethoxyphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3,4-diethoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3,4-diethoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3,4-diethoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3,4-diethoxyphenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-3-29-17-10-7-14(12-19(17)30-4-2)22-20(25)6-5-11-23-16-9-8-15(24(27)28)13-18(16)31-21(23)26/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,25)