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

Systemtic Name: propyl 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-2-9-29-21(25)14-3-6-17(7-4-14)22-19(24)8-5-15-10-18(23(26)27)11-16-12-28-13-30-20(15)16/h3-8,10-11H,2,9,12-13H2,1H3,(H,22,24)/b8-5+