3-nitro-4-(prop-2-ynylamino)benzoic acid

Systemtic Name: 3-nitro-4-(prop-2-ynylamino)benzoic acid Openeye Name: 3-nitro-4-(prop-2-ynylamino)benzoic acid CAS Name: 3-nitro-4-(prop-2-ynylamino)benzoic acid IUPAC Name: 3-nitro-4-(prop-2-ynylamino)benzoic acid Traditional Name: 3-nitro-4-(propargylamino)benzoic acid Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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