[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-2-yl]methyl ethanoate

Systemtic Name: [4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-2-yl]methyl ethanoate Openeye Name: [4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-2-yl]methyl acetate CAS Name: acetic acid [4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-piperazinyl]methyl ester IUPAC Name: [4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazin-2-yl]methyl acetate Traditional Name: acetic acid [4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazin-2-yl]methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CN(CCN1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1CN(CCN1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-10(12-3-4-15(25)14(7-12)19(22)23)16(21)18-6-5-17-13(8-18)9-24-11(2)20/h3-4,7,13,17,25H,1,5-6,8-9H2,2H3