N-(3-ethynylphenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3-ethynylphenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-ethynylphenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(3-ethynylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-ethynylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(3-ethynylphenyl)-4-morpholino-3-nitro-benzamide Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4/c1-2-14-4-3-5-16(12-14)20-19(23)15-6-7-17(18(13-15)22(24)25)21-8-10-26-11-9-21/h1,3-7,12-13H,8-11H2,(H,20,23)