1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidin-4-one

Systemtic Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidin-4-one Openeye Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperidin-4-one CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinone IUPAC Name: 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperidin-4-one Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-4-piperidone Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(=O)CC2

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(=O)CC2

InChI

InChI=1S/C14H14N2O4S/c1-9(14(18)15-6-4-11(17)5-7-15)10-2-3-13(21)12(8-10)16(19)20/h2-3,8,21H,1,4-7H2