(E)-4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one

Systemtic Name: (E)-4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one Openeye Name: (E)-4-[3-(5-methyl-2-furyl)-5-nitro-benzofuran-2-yl]but-3-en-2-one CAS Name: (E)-4-[3-(5-methyl-2-furanyl)-5-nitro-2-benzofuranyl]-3-buten-2-one IUPAC Name: (E)-4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]but-3-en-2-one Traditional Name: (E)-4-[3-(5-methyl-2-furyl)-5-nitro-benzofuran-2-yl]but-3-en-2-one Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])C=CC(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])/C=C/C(=O)C

InChI

InChI=1S/C17H13NO5/c1-10(19)3-6-16-17(15-7-4-11(2)22-15)13-9-12(18(20)21)5-8-14(13)23-16/h3-9H,1-2H3/b6-3+