(Z)-2-diazonio-1-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethoxy]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethoxy]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethoxy]-3-oxo-but-1-en-1-olate CAS Name: (Z)-2-diazonio-1-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethoxy]-3-oxo-1-buten-1-olate IUPAC Name: (Z)-2-diazonio-1-[2-[methyl-[(4-nitrophenyl)methyl]amino]ethoxy]-3-oxobut-1-en-1-olate Traditional Name: (Z)-2-diazonio-3-keto-1-[2-[methyl-(4-nitrobenzyl)amino]ethoxy]but-1-en-1-olate Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C([O-])OCCN(C)CC1=CC=C(C=C1)[N+](=O)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(\[O-])/OCCN(C)CC1=CC=C(C=C1)[N+](=O)[O-])/[N+]#N

InChI

InChI=1S/C14H16N4O5/c1-10(19)13(16-15)14(20)23-8-7-17(2)9-11-3-5-12(6-4-11)18(21)22/h3-6H,7-9H2,1-2H3