2-(4-chloranyl-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H16ClN3O6/c1-10-5-13(19)3-4-15(10)28-11(2)18(23)21-20-8-12-6-16-17(27-9-26-16)7-14(12)22(24)25/h3-8,11H,9H2,1-2H3,(H,21,23)/b20-8+