2-(5-azido-6-methyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid

Systemtic Name: 2-(5-azido-6-methyl-9-oxidanylidene-xanthen-4-yl)ethanoic acid Openeye Name: 2-(5-azido-6-methyl-9-oxo-xanthen-4-yl)acetic acid CAS Name: 2-(5-azido-6-methyl-9-oxo-4-xanthenyl)acetic acid IUPAC Name: 2-(5-azido-6-methyl-9-oxoxanthen-4-yl)acetic acid Traditional Name: 2-(5-azido-9-keto-6-methyl-xanthen-4-yl)acetic acid Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)CC(=O)O)N=[N+]=[N-]

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C3=C(O2)C(=CC=C3)CC(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C16H11N3O4/c1-8-5-6-11-14(22)10-4-2-3-9(7-12(20)21)15(10)23-16(11)13(8)18-19-17/h2-6H,7H2,1H3,(H,20,21)