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

Systemtic Name: N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzamide CAS Name: N-(3-ethynylphenyl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(3-ethynylphenyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzamide Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-3-11-5-4-6-13(9-11)17-16(19)12-7-8-15(22-2)14(10-12)18(20)21/h1,4-10H,2H3,(H,17,19)