N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-propan-2-yl-benzamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-propan-2-ylbenzamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-11(2)12-3-5-13(6-4-12)18(22)20-19-9-14-7-16-17(26-10-25-16)8-15(14)21(23)24/h3-9,11H,10H2,1-2H3,(H,20,22)/b19-9+