2-[(3-ethynylphenyl)amino]-5-nitro-benzoate

Systemtic Name: 2-[(3-ethynylphenyl)amino]-5-nitro-benzoate Openeye Name: 2-(3-ethynylanilino)-5-nitro-benzoate CAS Name: 2-(3-ethynylanilino)-5-nitrobenzoate IUPAC Name: 2-(3-ethynylanilino)-5-nitrobenzoate Traditional Name: 2-(3-ethynylanilino)-5-nitro-benzoate Formula: C15H9N2O4- MolecularWeight: 281.24296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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