methyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate hydrochloride

Systemtic Name: methyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)xanthen-9-yl]benzoate hydrochloride Openeye Name: methyl 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)benzoate hydrochloride CAS Name: 2-(3-amino-4,5-dibromo-6-imino-9-xanthenyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(3-amino-4,5-dibromo-6-iminoxanthen-9-yl)benzoate hydrochloride Traditional Name: 2-(3-amino-4,5-dibromo-6-imino-xanthen-9-yl)benzoic acid methyl ester hydrochloride Formula: C21H15Br2ClN2O3 MolecularWeight: 538.6164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br.Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br.Cl

InChI

InChI=1S/C21H14Br2N2O3.ClH/c1-27-21(26)11-5-3-2-4-10(11)16-12-6-8-14(24)17(22)19(12)28-20-13(16)7-9-15(25)18(20)23;/h2-9,24H,25H2,1H3;1H