4-[(4-chlorophenyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[(4-chlorophenyl)amino]-3-nitro-benzoate Openeye Name: 4-(4-chloroanilino)-3-nitro-benzoate CAS Name: 4-(4-chloroanilino)-3-nitrobenzoate IUPAC Name: 4-(4-chloroanilino)-3-nitrobenzoate Traditional Name: 4-(4-chloroanilino)-3-nitro-benzoate Formula: C13H8ClN2O4- MolecularWeight: 291.66662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H9ClN2O4/c14-9-2-4-10(5-3-9)15-11-6-1-8(13(17)18)7-12(11)16(19)20/h1-7,15H,(H,17,18)/p-1