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

Systemtic Name: methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrate hydrochloride Openeye Name: methyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate hydrate hydrochloride CAS Name: 2-(3-amino-6-imino-9-xanthenyl)benzoic acid methyl ester hydrate hydrochloride IUPAC Name: methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate hydrate hydrochloride Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)benzoic acid methyl ester hydrate hydrochloride Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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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.O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O3.ClH.H2O/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;1H2