2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(prop-2-enoylamino)benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(prop-2-enoylamino)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(prop-2-enoylamino)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-(1-oxoprop-2-enylamino)benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(prop-2-enoylamino)benzoic acid Traditional Name: 5-acrylamido-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C23H15NO6 MolecularWeight: 401.3683

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

C=CC(=O)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C23H15NO6/c1-2-21(27)24-12-3-6-15(18(9-12)23(28)29)22-16-7-4-13(25)10-19(16)30-20-11-14(26)5-8-17(20)22/h2-11,25H,1H2,(H,24,27)(H,28,29)