(E)-2-diazonio-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[[4-(1-indolyl)-1-oxobutyl]-methylamino]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-keto-but-1-en-1-olate Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCCN1C=CC2=CC=CC=C21)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCCN1C=CC2=CC=CC=C21)\[O-])/[N+]#N

InChI

InChI=1S/C17H18N4O3/c1-12(22)16(19-18)17(24)20(2)15(23)8-5-10-21-11-9-13-6-3-4-7-14(13)21/h3-4,6-7,9,11H,5,8,10H2,1-2H3