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

Systemtic Name: propyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)benzoate hydrochloride Openeye Name: propyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate hydrochloride CAS Name: 2-(3-amino-6-imino-9-xanthenyl)benzoic acid propyl ester hydrochloride IUPAC Name: propyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate hydrochloride Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)benzoic acid propyl ester hydrochloride Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3.ClH/c1-2-11-27-23(26)17-6-4-3-5-16(17)22-18-9-7-14(24)12-20(18)28-21-13-15(25)8-10-19(21)22;/h3-10,12-13,24H,2,11,25H2,1H3;1H