4-[[(2-chloranyl-4-nitro-phenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-chloranyl-4-nitro-phenyl)amino]methyl]benzoic acid Openeye Name: 4-[(2-chloro-4-nitro-anilino)methyl]benzoic acid CAS Name: 4-[(2-chloro-4-nitroanilino)methyl]benzoic acid IUPAC Name: 4-[(2-chloro-4-nitroanilino)methyl]benzoic acid Traditional Name: 4-[(2-chloro-4-nitro-anilino)methyl]benzoic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C14H11ClN2O4/c15-12-7-11(17(20)21)5-6-13(12)16-8-9-1-3-10(4-2-9)14(18)19/h1-7,16H,8H2,(H,18,19)