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

Systemtic Name: 2-[(2-chloranyl-4-ethynyl-phenyl)amino]-4-nitro-benzoic acid Openeye Name: 2-(2-chloro-4-ethynyl-anilino)-4-nitro-benzoic acid CAS Name: 2-(2-chloro-4-ethynylanilino)-4-nitrobenzoic acid IUPAC Name: 2-(2-chloro-4-ethynylanilino)-4-nitrobenzoic acid Traditional Name: 2-(2-chloro-4-ethynyl-anilino)-4-nitro-benzoic acid Formula: C15H9ClN2O4 MolecularWeight: 316.69596

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C15H9ClN2O4/c1-2-9-3-6-13(12(16)7-9)17-14-8-10(18(21)22)4-5-11(14)15(19)20/h1,3-8,17H,(H,19,20)