2-[(E)-[2-(4-nitrophenyl)imino-4-oxidanylidene-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid

Systemtic Name: 2-[(E)-[2-(4-nitrophenyl)imino-4-oxidanylidene-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid Openeye Name: 2-[(E)-[2-(4-nitrophenyl)imino-4-oxo-thiazolidin-3-yl]iminomethyl]benzoic acid CAS Name: 2-[(E)-[2-(4-nitrophenyl)imino-4-oxo-3-thiazolidinyl]iminomethyl]benzoic acid IUPAC Name: 2-[(E)-[2-(4-nitrophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid Traditional Name: 2-[(E)-[4-keto-2-(4-nitrophenyl)imino-thiazolidin-3-yl]iminomethyl]benzoic acid Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=NC2=CC=C(C=C2)[N+](=O)[O-])S1)N=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C(=O)N(C(=NC2=CC=C(C=C2)[N+](=O)[O-])S1)/N=C/C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H12N4O5S/c22-15-10-27-17(19-12-5-7-13(8-6-12)21(25)26)20(15)18-9-11-3-1-2-4-14(11)16(23)24/h1-9H,10H2,(H,23,24)/b18-9+,19-17?