4-[(Z)-(6-azanyl-9-oxidanylidene-2,3-dihydro-1H-xanthen-4-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(Z)-(6-azanyl-9-oxidanylidene-2,3-dihydro-1H-xanthen-4-ylidene)methyl]benzoic acid Openeye Name: 4-[(Z)-(6-amino-9-oxo-2,3-dihydro-1H-xanthen-4-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-(6-amino-9-oxo-2,3-dihydro-1H-xanthen-4-ylidene)methyl]benzoic acid IUPAC Name: 4-[(Z)-(6-amino-9-oxo-2,3-dihydro-1H-xanthen-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-(6-amino-9-keto-2,3-dihydro-1H-xanthen-4-ylidene)methyl]benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=C(C=C2)C(=O)O)C3=C(C1)C(=O)C4=C(O3)C=C(C=C4)N

Isomeric SMILES

C1C/C(=C/C2=CC=C(C=C2)C(=O)O)/C3=C(C1)C(=O)C4=C(O3)C=C(C=C4)N

InChI

InChI=1S/C21H17NO4/c22-15-8-9-16-18(11-15)26-20-14(2-1-3-17(20)19(16)23)10-12-4-6-13(7-5-12)21(24)25/h4-11H,1-3,22H2,(H,24,25)/b14-10-