N-(3-ethynylphenyl)-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(3-ethynylphenyl)-3-hydroxy-4-nitro-benzamide CAS Name: N-(3-ethynylphenyl)-3-hydroxy-4-nitrobenzamide IUPAC Name: N-(3-ethynylphenyl)-3-hydroxy-4-nitrobenzamide Traditional Name: N-(3-ethynylphenyl)-3-hydroxy-4-nitro-benzamide Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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