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

Systemtic Name: (3-chlorophenyl)methyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-chlorophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-chlorophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3-chlorophenyl)methyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (3-chlorobenzyl)-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC(=CC=C2)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=CC(=CC=C2)Cl)OC)[N+](=O)[O-]

InChI

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