(E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-pyrrolyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]acrylamide Formula: C16H12N4O5 MolecularWeight: 340.29028

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3C=C(C#N)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3/C=C(\C#N)/C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O5/c17-7-10(16(18)21)4-12-2-1-3-19(12)8-11-5-14-15(25-9-24-14)6-13(11)20(22)23/h1-6H,8-9H2,(H2,18,21)/b10-4+