N-[3-(3-ethylpent-1-yn-3-ylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(3-ethylpent-1-yn-3-ylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(1,1-diethylprop-2-ynylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(3-ethylpent-1-yn-3-ylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(3-ethylpent-1-yn-3-ylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(1,1-diethylprop-2-ynylamino)-3-keto-propyl]-4-nitro-benzamide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-4-17(5-2,6-3)19-15(21)11-12-18-16(22)13-7-9-14(10-8-13)20(23)24/h1,7-10H,5-6,11-12H2,2-3H3,(H,18,22)(H,19,21)