1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]pyrrolidine-3-carboxylic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(C2)C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(C2)C(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-8(9-2-3-12(22)11(6-9)16(20)21)13(17)15-5-4-10(7-15)14(18)19/h2-3,6,10,22H,1,4-5,7H2,(H,18,19)