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

Systemtic Name: methyl (2S)-2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propionic acid methyl ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC=C2C=C(C=CC2=O)Br

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC=C2C=C(C=CC2=O)Br

InChI

InChI=1S/C17H16BrNO3/c1-22-17(21)15(9-12-5-3-2-4-6-12)19-11-13-10-14(18)7-8-16(13)20/h2-8,10-11,15,19H,9H2,1H3/t15-/m0/s1