2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazino]acetic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)O

InChI

InChI=1S/C15H17N3O5S/c1-10(11-2-3-13(24)12(8-11)18(22)23)15(21)17-6-4-16(5-7-17)9-14(19)20/h2-3,8,24H,1,4-7,9H2,(H,19,20)