(E)-2-diazonio-1-[3-indol-1-ylpropanoyl(methyl)amino]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[3-indol-1-ylpropanoyl(methyl)amino]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[3-indol-1-ylpropanoyl(methyl)amino]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[[3-(1-indolyl)-1-oxopropyl]-methylamino]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[3-indol-1-ylpropanoyl(methyl)amino]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-1-[3-indol-1-ylpropanoyl(methyl)amino]-3-keto-but-1-en-1-olate Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCN1C=CC2=CC=CC=C21)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCN1C=CC2=CC=CC=C21)\[O-])/[N+]#N

InChI

InChI=1S/C16H16N4O3/c1-11(21)15(18-17)16(23)19(2)14(22)8-10-20-9-7-12-5-3-4-6-13(12)20/h3-7,9H,8,10H2,1-2H3