N-(3-ethylpent-1-yn-3-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-5-17(6-2,7-3)19-16(21)13-8-9-14(18-10-11-24-4)15(12-13)20(22)23/h1,8-9,12,18H,6-7,10-11H2,2-4H3,(H,19,21)