6-methyl-3-[(E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[(E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[(E)-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[(E)-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1-oxoprop-2-enyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[(E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[(E)-3-(3-nitro-4-pyrrolidino-phenyl)acryloyl]pyran-4-one Formula: C19H18N2O6 MolecularWeight: 370.35602

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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)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)/C=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6/c1-12-10-17(23)18(19(24)27-12)16(22)7-5-13-4-6-14(15(11-13)21(25)26)20-8-2-3-9-20/h4-7,10-11,24H,2-3,8-9H2,1H3/b7-5+