(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C27H19N5O5 MolecularWeight: 493.47026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H19N5O5/c28-16-19(27(33)29-22-14-24-25(37-12-11-36-24)15-23(22)32(34)35)13-20-17-31(21-9-5-2-6-10-21)30-26(20)18-7-3-1-4-8-18/h1-10,13-15,17H,11-12H2,(H,29,33)/b19-13+