3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid Openeye Name: 3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid CAS Name: 3-[[[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]benzoic acid Traditional Name: 3-[[3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzoic acid Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H13N3O5S/c21-15(8-7-11-3-1-6-14(9-11)20(24)25)19-17(26)18-13-5-2-4-12(10-13)16(22)23/h1-10H,(H,22,23)(H2,18,19,21,26)