N'-(4-butoxy-3-methoxy-phenyl)carbonyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

Systemtic Name: N'-(4-butoxy-3-methoxy-phenyl)carbonyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide Openeye Name: N'-(4-butoxy-3-methoxy-benzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide CAS Name: N'-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbohydrazide IUPAC Name: N'-(4-butoxy-3-methoxybenzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide Traditional Name: N'-(4-butoxy-3-methoxy-benzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbohydrazide Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

InChI

InChI=1S/C21H23N3O8/c1-3-4-7-30-16-6-5-13(10-17(16)29-2)20(25)22-23-21(26)14-11-18-19(32-9-8-31-18)12-15(14)24(27)28/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,22,25)(H,23,26)