methyl (2S)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate

Systemtic Name: methyl (2S)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate Openeye Name: methyl (2S)-2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoate CAS Name: (2S)-2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoate Traditional Name: (2S)-2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]propionic acid methyl ester Formula: C11H12BrNO3 MolecularWeight: 286.12188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC=C1C=C(C=CC1=O)Br

Isomeric SMILES

C[C@@H](C(=O)OC)NC=C1C=C(C=CC1=O)Br

InChI

InChI=1S/C11H12BrNO3/c1-7(11(15)16-2)13-6-8-5-9(12)3-4-10(8)14/h3-7,13H,1-2H3/t7-/m0/s1