[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C17H19ClN3O3+ MolecularWeight: 348.80406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O3/c1-12-3-5-13(6-4-12)10-20(2)11-17(22)19-15-9-14(18)7-8-16(15)21(23)24/h3-9H,10-11H2,1-2H3,(H,19,22)/p+1