methyl 2-[(4-chlorophenyl)amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-chlorophenyl)amino]-5-nitro-benzoate Openeye Name: methyl 2-(4-chloroanilino)-5-nitro-benzoate CAS Name: 2-(4-chloroanilino)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-chloroanilino)-5-nitrobenzoate Traditional Name: 2-(4-chloroanilino)-5-nitro-benzoic acid methyl ester Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4/c1-21-14(18)12-8-11(17(19)20)6-7-13(12)16-10-4-2-9(15)3-5-10/h2-8,16H,1H3