methyl (2S)-4-methyl-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]pentanoate CAS Name: (2S)-4-methyl-2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]pentanoate Traditional Name: (2S)-2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-4-methyl-valeric acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC=C1C=CC(=O)C=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC=C1C=CC(=O)C=C1

InChI

InChI=1S/C14H19NO3/c1-10(2)8-13(14(17)18-3)15-9-11-4-6-12(16)7-5-11/h4-7,9-10,13,15H,8H2,1-3H3/t13-/m0/s1