3,4,5-triethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Openeye Name: 3,4,5-triethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 3,4,5-triethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Traditional Name: 3,4,5-triethoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C21H23N3O8/c1-4-28-18-7-13(8-19(29-5-2)20(18)30-6-3)21(25)23-22-11-14-9-16-17(32-12-31-16)10-15(14)24(26)27/h7-11H,4-6,12H2,1-3H3,(H,23,25)/b22-11+