4-azanyl-2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-4-keto-butyric acid Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(CC(=O)N)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC(CC(=O)N)C(=O)O)Br

InChI

InChI=1S/C14H15BrN2O4/c1-8-2-3-9(10(15)6-8)4-5-13(19)17-11(14(20)21)7-12(16)18/h2-6,11H,7H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/b5-4+