methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrochloride

Systemtic Name: methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrochloride Openeye Name: methyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate hydrochloride CAS Name: 2-(3-amino-6-imino-9-xanthenyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate hydrochloride Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)benzoic acid methyl ester hydrochloride Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl

InChI

InChI=1S/C21H16N2O3.ClH/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;/h2-11,22H,23H2,1H3;1H