2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(2-chloro-4-nitro-anilino)ethyl-[2-(4-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 2-(2-chloro-4-nitroanilino)ethyl-[2-(4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 2-(2-chloro-4-nitroanilino)ethyl-[2-(4-nitroanilino)-2-oxoethyl]azanium Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-[2-keto-2-(4-nitroanilino)ethyl]ammonium Formula: C16H17ClN5O5+ MolecularWeight: 394.78968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C[NH2+]CCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C[NH2+]CCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClN5O5/c17-14-9-13(22(26)27)5-6-15(14)19-8-7-18-10-16(23)20-11-1-3-12(4-2-11)21(24)25/h1-6,9,18-19H,7-8,10H2,(H,20,23)/p+1