(E)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyano-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3-nitrophenyl)-N-[(E)-piperonylideneamino]acrylamide Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O5/c19-9-14(6-12-2-1-3-15(7-12)22(24)25)18(23)21-20-10-13-4-5-16-17(8-13)27-11-26-16/h1-8,10H,11H2,(H,21,23)/b14-6+,20-10+