5-chloranyl-2-methoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Openeye Name: 5-chloro-2-methoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 5-chloro-2-methoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide Traditional Name: 5-chloro-2-methoxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C16H12ClN3O6 MolecularWeight: 377.73598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H12ClN3O6/c1-24-13-3-2-10(17)5-11(13)16(21)19-18-7-9-4-14-15(26-8-25-14)6-12(9)20(22)23/h2-7H,8H2,1H3,(H,19,21)/b18-7+