3-[(E)-3-[4-(2-chloranylphenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-[4-(2-chloranylphenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-[4-(2-chlorophenoxy)-3-nitro-phenyl]prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-[4-(2-chlorophenoxy)-3-nitro-phenyl]acryloyl]-6-methyl-pyran-2,4-quinone Formula: C21H14ClNO7 MolecularWeight: 427.79136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=O)O1)C(=O)C=CC2=CC(=C(C=C2)OC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClNO7/c1-12-10-17(25)20(21(26)29-12)16(24)8-6-13-7-9-19(15(11-13)23(27)28)30-18-5-3-2-4-14(18)22/h2-11,20H,1H3/b8-6+