sodium (E)-3-(2-azanyl-5-methyl-phenyl)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: sodium (E)-3-(2-azanyl-5-methyl-phenyl)-3-(4-bromophenyl)prop-2-enoate Openeye Name: sodium (E)-3-(2-amino-5-methyl-phenyl)-3-(4-bromophenyl)prop-2-enoate CAS Name: sodium (E)-3-(2-amino-5-methylphenyl)-3-(4-bromophenyl)-2-propenoate IUPAC Name: sodium (E)-3-(2-amino-5-methylphenyl)-3-(4-bromophenyl)prop-2-enoate Traditional Name: sodium (E)-3-(2-amino-5-methyl-phenyl)-3-(4-bromophenyl)acrylate Formula: C16H13BrNNaO2 MolecularWeight: 354.17369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO2.Na/c1-10-2-7-15(18)14(8-10)13(9-16(19)20)11-3-5-12(17)6-4-11;/h2-9H,18H2,1H3,(H,19,20);/q;+1/p-1/b13-9+;