methyl 2-[3,6-bis(azanyl)-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3,6-bis(azanyl)-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate CAS Name: 2-(3,6-diamino-9H-xanthen-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate Traditional Name: 2-(3,6-diamino-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)N

InChI

InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3