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methyl 1-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate

methyl 1-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate

Systemtic Name:methyl 1-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxylate
Openeye Name:methyl 1-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]-1-methyl-2-piperazinecarboxylic acid methyl ester
IUPAC Name:methyl 1-methyl-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxylate
Traditional Name:4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-1-methyl-piperazine-2-carboxylic acid methyl ester
Formula: C16H19N3O5S
MolecularWeight: 365.40416
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C(=O)OC)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]


Isomeric SMILES

CN1CCN(CC1C(=O)OC)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]


InChI

InChI=1S/C16H19N3O5S/c1-10(11-4-5-14(25)12(8-11)19(22)23)15(20)18-7-6-17(2)13(9-18)16(21)24-3/h4-5,8,13,25H,1,6-7,9H2,2-3H3


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