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

Systemtic Name: 4-chloranyl-N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-(3-ethoxypropylcarbamoyl)-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-(3-ethoxypropylcarbamoyl)-2-methyl-propyl]-3-nitro-benzamide Formula: C17H24ClN3O5 MolecularWeight: 385.84256

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(C(C)C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC(=O)[C@H](C(C)C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H24ClN3O5/c1-4-26-9-5-8-19-17(23)15(11(2)3)20-16(22)12-6-7-13(18)14(10-12)21(24)25/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,19,23)(H,20,22)/t15-/m0/s1