sodium 2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-methyl-phenyl]ethanoate

Systemtic Name: sodium 2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-methyl-phenyl]ethanoate Openeye Name: sodium 2-[2-amino-3-(4-bromobenzoyl)-5-methyl-phenyl]acetate CAS Name: sodium 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]-5-methylphenyl]acetate IUPAC Name: sodium 2-[2-amino-3-(4-bromobenzoyl)-5-methylphenyl]acetate Traditional Name: sodium 2-[2-amino-3-(4-bromobenzoyl)-5-methyl-phenyl]acetate Formula: C16H13BrNNaO3 MolecularWeight: 370.17309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)[O-].[Na+]

InChI

InChI=1S/C16H14BrNO3.Na/c1-9-6-11(8-14(19)20)15(18)13(7-9)16(21)10-2-4-12(17)5-3-10;/h2-7H,8,18H2,1H3,(H,19,20);/q;+1/p-1