2-[(4-ethynyl-2-methyl-phenyl)amino]-4-nitro-N-oxidanyl-benzamide

Systemtic Name: 2-[(4-ethynyl-2-methyl-phenyl)amino]-4-nitro-N-oxidanyl-benzamide Openeye Name: 2-(4-ethynyl-2-methyl-anilino)-4-nitro-benzenecarbohydroxamic acid CAS Name: 2-(4-ethynyl-2-methylanilino)-N-hydroxy-4-nitrobenzamide IUPAC Name: 2-(4-ethynyl-2-methylanilino)-N-hydroxy-4-nitrobenzamide Traditional Name: 2-(4-ethynyl-2-methyl-anilino)-4-nitro-benzenecarbohydroxamic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#C)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NO

Isomeric SMILES

CC1=C(C=CC(=C1)C#C)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NO

InChI

InChI=1S/C16H13N3O4/c1-3-11-4-7-14(10(2)8-11)17-15-9-12(19(22)23)5-6-13(15)16(20)18-21/h1,4-9,17,21H,2H3,(H,18,20)