methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)-3,4,5,6-tetrakis(bromanyl)benzoate

Systemtic Name: methyl 2-(3-azanyl-6-azanylidene-xanthen-9-yl)-3,4,5,6-tetrakis(bromanyl)benzoate Openeye Name: methyl 2-(3-amino-6-imino-xanthen-9-yl)-3,4,5,6-tetrabromo-benzoate CAS Name: 2-(3-amino-6-imino-9-xanthenyl)-3,4,5,6-tetrabromobenzoic acid methyl ester IUPAC Name: methyl 2-(3-amino-6-iminoxanthen-9-yl)-3,4,5,6-tetrabromobenzoate Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)-3,4,5,6-tetrabromo-benzoic acid methyl ester Formula: C21H12Br4N2O3 MolecularWeight: 659.94758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N

InChI

InChI=1S/C21H12Br4N2O3/c1-29-21(28)16-15(17(22)19(24)20(25)18(16)23)14-10-4-2-8(26)6-12(10)30-13-7-9(27)3-5-11(13)14/h2-7,26H,27H2,1H3