methyl N-(2-chloranyl-3-nitro-5-phenethyl-phenyl)-N-methyl-carbamate

Systemtic Name: methyl N-(2-chloranyl-3-nitro-5-phenethyl-phenyl)-N-methyl-carbamate Openeye Name: methyl N-(2-chloro-3-nitro-5-phenethyl-phenyl)-N-methyl-carbamate CAS Name: N-(2-chloro-3-nitro-5-phenethylphenyl)-N-methylcarbamic acid methyl ester IUPAC Name: methyl N-(2-chloro-3-nitro-5-phenethylphenyl)-N-methylcarbamate Traditional Name: N-(2-chloro-3-nitro-5-phenethyl-phenyl)-N-methyl-carbamic acid methyl ester Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=CC(=C1)CCC2=CC=CC=C2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CN(C1=C(C(=CC(=C1)CCC2=CC=CC=C2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C17H17ClN2O4/c1-19(17(21)24-2)14-10-13(11-15(16(14)18)20(22)23)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3