3-nitro-4-phenyl-5-prop-2-ynoxy-benzoic acid

Systemtic Name: 3-nitro-4-phenyl-5-prop-2-ynoxy-benzoic acid Openeye Name: 3-nitro-4-phenyl-5-prop-2-ynoxy-benzoic acid CAS Name: 3-nitro-4-phenyl-5-prop-2-ynoxybenzoic acid IUPAC Name: 3-nitro-4-phenyl-5-prop-2-ynoxybenzoic acid Traditional Name: 3-nitro-4-phenyl-5-propargyloxy-benzoic acid Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C#CCOC1=CC(=CC(=C1C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H11NO5/c1-2-8-22-14-10-12(16(18)19)9-13(17(20)21)15(14)11-6-4-3-5-7-11/h1,3-7,9-10H,8H2,(H,18,19)