2-(3-azanyl-6-azanylidene-xanthen-9-yl)-5-ethanoyl-benzoic acid

Systemtic Name: 2-(3-azanyl-6-azanylidene-xanthen-9-yl)-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-(3-amino-6-imino-xanthen-9-yl)benzoic acid CAS Name: 5-acetyl-2-(3-amino-6-imino-9-xanthenyl)benzoic acid IUPAC Name: 5-acetyl-2-(3-amino-6-iminoxanthen-9-yl)benzoic acid Traditional Name: 5-acetyl-2-(3-amino-6-imino-xanthen-9-yl)benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O4/c1-11(25)12-2-5-15(18(8-12)22(26)27)21-16-6-3-13(23)9-19(16)28-20-10-14(24)4-7-17(20)21/h2-10,23H,24H2,1H3,(H,26,27)