(Z,3S)-1-diazonio-3-(ethoxycarbonylamino)-4-phenyl-but-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-3-(ethoxycarbonylamino)-4-phenyl-but-1-en-2-olate Openeye Name: (Z,3S)-1-diazonio-3-(ethoxycarbonylamino)-4-phenyl-but-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-(ethoxycarbonylamino)-4-phenyl-1-buten-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-(ethoxycarbonylamino)-4-phenylbut-1-en-2-olate Traditional Name: (Z,3S)-3-(carbethoxyamino)-1-diazonio-4-phenyl-but-1-en-2-olate Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=CC=C1)C(=C[N+]#N)[O-]

Isomeric SMILES

CCOC(=O)N[C@@H](CC1=CC=CC=C1)/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C13H15N3O3/c1-2-19-13(18)16-11(12(17)9-15-14)8-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3,(H-,16,17,18)/b12-9-/t11-/m0/s1