(5-chloranyl-2-methoxy-phenyl)methyl-[(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(3-cyano-5-nitro-2-oxo-1-pyridyl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(3-cyano-5-nitro-2-oxo-1-pyridinyl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(3-cyano-5-nitro-2-oxopyridin-1-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(3-cyano-2-keto-5-nitro-1-pyridyl)methyl]-methyl-ammonium Formula: C16H16ClN4O4+ MolecularWeight: 363.77564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O4/c1-19(8-12-5-13(17)3-4-15(12)25-2)10-20-9-14(21(23)24)6-11(7-18)16(20)22/h3-6,9H,8,10H2,1-2H3/p+1