6-methyl-3-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[(E)-3-[4-(methylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[(E)-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[(E)-3-[4-(methylamino)-3-nitro-phenyl]acryloyl]pyran-4-one Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-9-7-14(20)15(16(21)24-9)13(19)6-4-10-3-5-11(17-2)12(8-10)18(22)23/h3-8,17,21H,1-2H3/b6-4+