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

Systemtic Name: bis(2-cyanoethyl)-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: bis(2-cyanoethyl)-[2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: bis(2-cyanoethyl)-[2-(2-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[2-(2-nitroanilino)-2-oxoethyl]azanium Traditional Name: bis(2-cyanoethyl)-[2-keto-2-(2-nitroanilino)ethyl]ammonium Formula: C14H16N5O3+ MolecularWeight: 302.30854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3/c15-7-3-9-18(10-4-8-16)11-14(20)17-12-5-1-2-6-13(12)19(21)22/h1-2,5-6H,3-4,9-11H2,(H,17,20)/p+1