(E)-(1-cyclohexyl-4-diazonio-3-ethoxycarbonyl-5-oxidanylidene-pyrrol-2-ylidene)-ethoxy-methanolate

Systemtic Name: (E)-(1-cyclohexyl-4-diazonio-3-ethoxycarbonyl-5-oxidanylidene-pyrrol-2-ylidene)-ethoxy-methanolate Openeye Name: (E)-(1-cyclohexyl-4-diazonio-3-ethoxycarbonyl-5-oxo-pyrrol-2-ylidene)-ethoxy-methanolate CAS Name: (E)-(1-cyclohexyl-4-diazonio-3-ethoxycarbonyl-5-oxo-2-pyrrolylidene)-ethoxymethanolate IUPAC Name: (E)-(1-cyclohexyl-4-diazonio-3-ethoxycarbonyl-5-oxopyrrol-2-ylidene)-ethoxymethanolate Traditional Name: (E)-(3-carbethoxy-1-cyclohexyl-4-diazonio-5-keto-3-pyrrolin-2-ylidene)-ethoxy-methanolate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(C1=C([O-])OCC)C2CCCCC2)[N+]#N

Isomeric SMILES

CCOC(=O)C\1=C(C(=O)N(/C1=C(\[O-])/OCC)C2CCCCC2)[N+]#N

InChI

InChI=1S/C16H21N3O5/c1-3-23-15(21)11-12(18-17)14(20)19(10-8-6-5-7-9-10)13(11)16(22)24-4-2/h10H,3-9H2,1-2H3