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

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]butyramide Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6/c1-12-7-14(20)4-5-16(12)27-6-2-3-19(24)22-21-10-13-8-17-18(29-11-28-17)9-15(13)23(25)26/h4-5,7-10H,2-3,6,11H2,1H3,(H,22,24)/b21-10+