N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-methyl-butyramide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H21N3O7/c1-22(12-15-13-29-17-5-2-3-6-18(17)30-15)20(25)7-4-10-23-16-9-8-14(24(27)28)11-19(16)31-21(23)26/h2-3,5-6,8-9,11,15H,4,7,10,12-13H2,1H3