6-methyl-3-[(E)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enoyl]pyran-2,4-dione

Systemtic Name: 6-methyl-3-[(E)-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enoyl]pyran-2,4-dione Openeye Name: 6-methyl-3-[(E)-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enoyl]pyran-2,4-dione CAS Name: 6-methyl-3-[(E)-3-[3-nitro-4-(1-piperidinyl)phenyl]-1-oxoprop-2-enyl]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(E)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enoyl]pyran-2,4-dione Traditional Name: 6-methyl-3-[(E)-3-(3-nitro-4-piperidino-phenyl)acryloyl]pyran-2,4-quinone Formula: C20H20N2O6 MolecularWeight: 384.3826

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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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-13-11-18(24)19(20(25)28-13)17(23)8-6-14-5-7-15(16(12-14)22(26)27)21-9-3-2-4-10-21/h5-8,11-12,19H,2-4,9-10H2,1H3/b8-6+