N-[(E)-4-diazonio-1-(4-methoxyphenyl)-3-oxidanidyl-but-3-en-2-yl]carbamate

Systemtic Name: N-[(E)-4-diazonio-1-(4-methoxyphenyl)-3-oxidanidyl-but-3-en-2-yl]carbamate Openeye Name: N-[(E)-3-diazonio-1-[(4-methoxyphenyl)methyl]-2-oxido-allyl]carbamate CAS Name: N-[(E)-4-diazonio-1-(4-methoxyphenyl)-3-oxidobut-3-en-2-yl]carbamate IUPAC Name: N-[(E)-4-diazonio-1-(4-methoxyphenyl)-3-oxidobut-3-en-2-yl]carbamate Traditional Name: N-[(E)-3-diazonio-2-oxido-1-p-anisyl-allyl]carbamate Formula: C12H12N3O4- MolecularWeight: 262.24138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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