methyl 4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]carbamoyl]benzoate Openeye Name: methyl 4-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)carbamoyl]benzoate CAS Name: 4-[[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)carbamoyl]benzoate Traditional Name: 4-[(4-amino-3-bromo-9,10-diketo-1-anthryl)carbamoyl]benzoic acid methyl ester Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

InChI

InChI=1S/C23H15BrN2O5/c1-31-23(30)12-8-6-11(7-9-12)22(29)26-16-10-15(24)19(25)18-17(16)20(27)13-4-2-3-5-14(13)21(18)28/h2-10H,25H2,1H3,(H,26,29)