5-[(3-ethynylphenyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(3-ethynylphenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(3-ethynylanilino)-2-nitro-benzoic acid CAS Name: 5-(3-ethynylanilino)-2-nitrobenzoic acid IUPAC Name: 5-(3-ethynylanilino)-2-nitrobenzoic acid Traditional Name: 5-(3-ethynylanilino)-2-nitro-benzoic acid Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4/c1-2-10-4-3-5-11(8-10)16-12-6-7-14(17(20)21)13(9-12)15(18)19/h1,3-9,16H,(H,18,19)