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

Systemtic Name: 2-cyanoethyl-methyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-cyanoethyl-methyl-[2-(4-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 2-cyanoethyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 2-cyanoethyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium Traditional Name: 2-cyanoethyl-[2-keto-2-(4-nitroanilino)ethyl]-methyl-ammonium Formula: C12H15N4O3+ MolecularWeight: 263.2725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3/c1-15(8-2-7-13)9-12(17)14-10-3-5-11(6-4-10)16(18)19/h3-6H,2,8-9H2,1H3,(H,14,17)/p+1