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

Systemtic Name: 4-(cyclopropylamino)-N-(3-ethylpent-1-yn-3-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(1,1-diethylprop-2-ynyl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(3-ethylpent-1-yn-3-yl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(3-ethylpent-1-yn-3-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(1,1-diethylprop-2-ynyl)-3-nitro-benzamide Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-4-17(5-2,6-3)19-16(21)12-7-10-14(18-13-8-9-13)15(11-12)20(22)23/h1,7,10-11,13,18H,5-6,8-9H2,2-3H3,(H,19,21)