2-cyanoethyl-methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-cyanoethyl-methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-cyanoethyl-methyl-[2-(3-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 2-cyanoethyl-methyl-[2-(3-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 2-cyanoethyl-methyl-[2-(3-nitroanilino)-2-oxoethyl]azanium Traditional Name: 2-cyanoethyl-[2-keto-2-(3-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(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3/c1-15(7-3-6-13)9-12(17)14-10-4-2-5-11(8-10)16(18)19/h2,4-5,8H,3,7,9H2,1H3,(H,14,17)/p+1