4-azanyl-2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-azanyl-2-(3-bromanyl-4-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-amino-2-(3-bromo-4-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-amino-2-(3-bromo-4-methoxyphenyl)-4-oxobutanoate IUPAC Name: 4-amino-2-(3-bromo-4-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-amino-2-(3-bromo-4-methoxy-phenyl)-4-keto-butyrate Formula: C11H11BrNO4- MolecularWeight: 301.11334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)N)C(=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)N)C(=O)[O-])Br

InChI

InChI=1S/C11H12BrNO4/c1-17-9-3-2-6(4-8(9)12)7(11(15)16)5-10(13)14/h2-4,7H,5H2,1H3,(H2,13,14)(H,15,16)/p-1