[(2Z,4S,5R)-5-azido-4-methyl-octa-2,7-dien-3-yl] benzoate

Systemtic Name: [(2Z,4S,5R)-5-azido-4-methyl-octa-2,7-dien-3-yl] benzoate Openeye Name: [(1Z,2S,3R)-3-azido-1-ethylidene-2-methyl-hex-5-enyl] benzoate CAS Name: benzoic acid [(2Z,4S,5R)-5-azido-4-methylocta-2,7-dien-3-yl] ester IUPAC Name: [(2Z,4S,5R)-5-azido-4-methylocta-2,7-dien-3-yl] benzoate Traditional Name: benzoic acid [(1Z,2S,3R)-3-azido-1-ethylidene-2-methyl-hex-5-enyl] ester Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(C)C(CC=C)N=[N+]=[N-])OC(=O)C1=CC=CC=C1

Isomeric SMILES

C/C=C(/[C@@H](C)[C@@H](CC=C)N=[N+]=[N-])\OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H19N3O2/c1-4-9-14(18-19-17)12(3)15(5-2)21-16(20)13-10-7-6-8-11-13/h4-8,10-12,14H,1,9H2,2-3H3/b15-5-/t12-,14+/m0/s1