N-[(E,2S)-4-diazonio-2-(4-methoxyphenyl)-3-oxidanidyl-but-3-enyl]carbamate

Systemtic Name: N-[(E,2S)-4-diazonio-2-(4-methoxyphenyl)-3-oxidanidyl-but-3-enyl]carbamate Openeye Name: N-[(E,2S)-4-diazonio-2-(4-methoxyphenyl)-3-oxido-but-3-enyl]carbamate CAS Name: N-[(E,2S)-4-diazonio-2-(4-methoxyphenyl)-3-oxidobut-3-enyl]carbamate IUPAC Name: N-[(E,2S)-4-diazonio-2-(4-methoxyphenyl)-3-oxidobut-3-enyl]carbamate Traditional Name: N-[(E,2S)-4-diazonio-2-(4-methoxyphenyl)-3-oxido-but-3-enyl]carbamate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)[O-])C(=C[N+]#N)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)[O-])/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C12H13N3O4/c1-19-9-4-2-8(3-5-9)10(6-14-12(17)18)11(16)7-15-13/h2-5,7,10,14H,6H2,1H3,(H-,16,17,18)/p-1/b11-7+/t10-/m1/s1