2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiazole-4-carboxylic acid CAS Name: 2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]thiazole-4-carboxylic acid Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=NC(=CS2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=NC(=CS2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5S/c17-11(15-13-14-10(7-22-13)12(18)19)6-3-8-1-4-9(5-2-8)16(20)21/h1-7H,(H,18,19)(H,14,15,17)/b6-3+