(1E,3E)-2-diazonio-1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]buta-1,3-dien-1-olate

Systemtic Name: (1E,3E)-2-diazonio-1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]buta-1,3-dien-1-olate Openeye Name: (1E,3E)-4-(1-tert-butoxycarbonylindol-3-yl)-2-diazonio-1-methoxy-buta-1,3-dien-1-olate CAS Name: (1E,3E)-2-diazonio-1-methoxy-4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-1-buta-1,3-dienolate IUPAC Name: (1E,3E)-2-diazonio-1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]buta-1,3-dien-1-olate Traditional Name: (1E,3E)-4-(1-tert-butoxycarbonylindol-3-yl)-2-diazonio-1-methoxy-buta-1,3-dien-1-olate Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=CC(=C([O-])OC)[N+]#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C=C/C(=C(/[O-])\OC)/[N+]#N

InChI

InChI=1S/C18H19N3O4/c1-18(2,3)25-17(23)21-11-12(13-7-5-6-8-15(13)21)9-10-14(20-19)16(22)24-4/h5-11H,1-4H3/b10-9+,16-14+