2-[2-(3-nitrophenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(3-nitrophenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: 2-[3-allyl-2-(3-nitrophenyl)imino-4-oxo-thiazolidin-5-yl]acetic acid CAS Name: 2-[2-(3-nitrophenyl)imino-4-oxo-3-prop-2-enyl-5-thiazolidinyl]acetic acid IUPAC Name: 2-[2-(3-nitrophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetic acid Traditional Name: 2-[3-allyl-4-keto-2-(3-nitrophenyl)imino-thiazolidin-5-yl]acetic acid Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(SC1=NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C=CCN1C(=O)C(SC1=NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C14H13N3O5S/c1-2-6-16-13(20)11(8-12(18)19)23-14(16)15-9-4-3-5-10(7-9)17(21)22/h2-5,7,11H,1,6,8H2,(H,18,19)