4-(4-chloranyl-2-nitro-phenoxy)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]benzamide Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O5/c1-3-10-21-18(24)12(2)22-19(25)13-4-7-15(8-5-13)28-17-9-6-14(20)11-16(17)23(26)27/h4-9,11-12H,3,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1