N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenyl-ethanamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenyl-ethanamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-phenyl-acetamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylacetamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylacetamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-phenyl-acetamide Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c20-16(6-11-4-2-1-3-5-11)18-17-9-12-7-14-15(24-10-23-14)8-13(12)19(21)22/h1-5,7-9H,6,10H2,(H,18,20)/b17-9+