butyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)-3,4-dihydroxanthen-9-yl]benzoate

Systemtic Name: butyl 2-[3-azanyl-6-azanylidene-4,5-bis(bromanyl)-3,4-dihydroxanthen-9-yl]benzoate Openeye Name: butyl 2-(3-amino-4,5-dibromo-6-imino-3,4-dihydroxanthen-9-yl)benzoate CAS Name: 2-(3-amino-4,5-dibromo-6-imino-3,4-dihydroxanthen-9-yl)benzoic acid butyl ester IUPAC Name: butyl 2-(3-amino-4,5-dibromo-6-imino-3,4-dihydroxanthen-9-yl)benzoate Traditional Name: 2-(3-amino-4,5-dibromo-6-imino-3,4-dihydroxanthen-9-yl)benzoic acid butyl ester Formula: C24H22Br2N2O3 MolecularWeight: 546.25108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(C4Br)N)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(C4Br)N)Br

InChI

InChI=1S/C24H22Br2N2O3/c1-2-3-12-30-24(29)14-7-5-4-6-13(14)19-15-8-10-17(27)20(25)22(15)31-23-16(19)9-11-18(28)21(23)26/h4-11,17,20,28H,2-3,12,27H2,1H3