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

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-propanamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-propanamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylpropanamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylpropanamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-propionamide Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5/c21-17(7-6-12-4-2-1-3-5-12)19-18-10-13-8-15-16(25-11-24-15)9-14(13)20(22)23/h1-5,8-10H,6-7,11H2,(H,19,21)/b18-10+