butyl 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]benzoic acid butyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7/c1-2-3-10-30-22(26)15-4-7-18(8-5-15)23-20(25)9-6-16-11-19(24(27)28)12-17-13-29-14-31-21(16)17/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,23,25)/b9-6+