N-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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