methyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate

Systemtic Name: methyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate Openeye Name: methyl 4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate CAS Name: 4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxylate Traditional Name: 4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-2-carboxylic acid methyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CN(CCN1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5S/c1-9(10-3-4-13(24)12(7-10)18(21)22)14(19)17-6-5-16-11(8-17)15(20)23-2/h3-4,7,11,16,24H,1,5-6,8H2,2H3