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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-(4-ethylbenzyl)-methyl-ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O3/c1-3-13-4-6-14(7-5-13)11-21(2)12-18(23)20-17-9-8-15(22(24)25)10-16(17)19/h4-10H,3,11-12H2,1-2H3,(H,20,23)/p+1