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

Systemtic Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide Openeye Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]butanamide CAS Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide IUPAC Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]butanamide Traditional Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]butyramide Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)CC(=O)N/N=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H15N3O5/c1-8(2)3-13(17)15-14-6-9-4-11-12(21-7-20-11)5-10(9)16(18)19/h4-6,8H,3,7H2,1-2H3,(H,15,17)/b14-6+