2-cyanoethyl-[2-[(2,4-dinitrophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[2-[(2,4-dinitrophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[2-(2,4-dinitroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[2-(2,4-dinitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-cyanoethyl-[2-(2,4-dinitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-cyanoethyl-[2-(2,4-dinitroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C12H14N5O5+ MolecularWeight: 308.27006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](CCC#N)CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5/c1-15(6-2-5-13)8-12(18)14-10-4-3-9(16(19)20)7-11(10)17(21)22/h3-4,7H,2,6,8H2,1H3,(H,14,18)/p+1