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

Systemtic Name: 6-methyl-3-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]pyran-2,4-dione Openeye Name: 3-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 6-methyl-3-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]pyran-2,4-dione Traditional Name: 3-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C18H17NO6 MolecularWeight: 343.33068

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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)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6/c1-10(2)13-6-4-12(9-14(13)19(23)24)5-7-15(20)17-16(21)8-11(3)25-18(17)22/h4-10,17H,1-3H3/b7-5+