2-nitro-5-(prop-2-ynylamino)benzoic acid

Systemtic Name: 2-nitro-5-(prop-2-ynylamino)benzoic acid Openeye Name: 2-nitro-5-(prop-2-ynylamino)benzoic acid CAS Name: 2-nitro-5-(prop-2-ynylamino)benzoic acid IUPAC Name: 2-nitro-5-(prop-2-ynylamino)benzoic acid Traditional Name: 2-nitro-5-(propargylamino)benzoic acid Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C#CCNC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H8N2O4/c1-2-5-11-7-3-4-9(12(15)16)8(6-7)10(13)14/h1,3-4,6,11H,5H2,(H,13,14)