2-[3-bromanyl-5-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-phenyl]ethanoate

Systemtic Name: 2-[3-bromanyl-5-(5-carbamimidoyl-1H-indol-2-yl)-4-oxidanyl-phenyl]ethanoate Openeye Name: 2-[3-bromo-5-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-phenyl]acetate CAS Name: 2-[3-bromo-5-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxyphenyl]acetate IUPAC Name: 2-[3-bromo-5-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxyphenyl]acetate Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetate Formula: C17H13BrN3O3- MolecularWeight: 387.20742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(N2)C3=CC(=CC(=C3O)Br)CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(N2)C3=CC(=CC(=C3O)Br)CC(=O)[O-]

InChI

InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1