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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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