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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4/c1-12-4-7-17(26-3)13(8-12)10-21(2)11-18(23)20-16-6-5-14(22(24)25)9-15(16)19/h4-9H,10-11H2,1-3H3,(H,20,23)/p+1