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

Systemtic Name: methyl 4-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O7/c1-26-19(23)12-2-5-15(6-3-12)20-17(22)7-4-13-8-16(21(24)25)9-14-10-27-11-28-18(13)14/h2-9H,10-11H2,1H3,(H,20,22)/b7-4+