(Z,3R)-1-diazonio-3-[(R)-(ethoxycarbonylamino)-phenyl-methyl]-4-methyl-pent-1-en-2-olate

Systemtic Name: (Z,3R)-1-diazonio-3-[(R)-(ethoxycarbonylamino)-phenyl-methyl]-4-methyl-pent-1-en-2-olate Openeye Name: (Z,3R)-1-diazonio-3-[(R)-(ethoxycarbonylamino)-phenyl-methyl]-4-methyl-pent-1-en-2-olate CAS Name: (Z,3R)-1-diazonio-3-[(R)-(ethoxycarbonylamino)-phenylmethyl]-4-methyl-1-penten-2-olate IUPAC Name: (Z,3R)-1-diazonio-3-[(R)-(ethoxycarbonylamino)-phenylmethyl]-4-methylpent-1-en-2-olate Traditional Name: (Z,3R)-3-[(R)-(carbethoxyamino)-phenyl-methyl]-1-diazonio-4-methyl-pent-1-en-2-olate Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C1=CC=CC=C1)C(C(C)C)C(=C[N+]#N)[O-]

Isomeric SMILES

CCOC(=O)N[C@@H](C1=CC=CC=C1)[C@@H](C(C)C)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C16H21N3O3/c1-4-22-16(21)19-15(12-8-6-5-7-9-12)14(11(2)3)13(20)10-18-17/h5-11,14-15H,4H2,1-3H3,(H-,19,20,21)/b13-10-/t14-,15-/m0/s1