methyl 3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(2-chloro-4,6-dimethylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4,6-dimethylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-chloro-4,6-dimethyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c1-9-4-10(2)15(14(18)5-9)19-16(21)11-6-12(17(22)25-3)8-13(7-11)20(23)24/h4-8H,1-3H3,(H,19,21)