methyl 4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxybenzoate

Systemtic Name: methyl 4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxybenzoate Openeye Name: methyl 4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxybenzoate CAS Name: 4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]oxybenzoate Traditional Name: 4-[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]oxybenzoic acid methyl ester Formula: C18H13NO8 MolecularWeight: 371.29772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H13NO8/c1-24-18(21)11-2-5-13(6-3-11)27-17(20)7-4-12-8-15-16(26-10-25-15)9-14(12)19(22)23/h2-9H,10H2,1H3/b7-4+