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

Systemtic Name: methyl 4-methyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-methyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]benzoic acid methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-12-3-4-14(20(24)27-2)9-17(12)21-18(23)6-5-13-7-16(22(25)26)8-15-10-28-11-29-19(13)15/h3-9H,10-11H2,1-2H3,(H,21,23)/b6-5+