N-[(2S)-1-(2-diethylaminoethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-1-(2-diethylaminoethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(2-diethylaminoethylcarbamoyl)-2-methyl-propyl]-4-nitro-benzamide CAS Name: N-[(2S)-1-(2-diethylaminoethylamino)-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-1-(2-diethylaminoethylamino)-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(2-diethylaminoethylcarbamoyl)-2-methyl-propyl]-4-nitro-benzamide Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CCNC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4/c1-5-21(6-2)12-11-19-18(24)16(13(3)4)20-17(23)14-7-9-15(10-8-14)22(25)26/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,24)(H,20,23)/t16-/m0/s1