4-chloranyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]benzamide CAS Name: 4-chloro-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-propyl]benzamide Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClN3O5/c1-11(2)17(22-18(25)12-3-5-14(20)6-4-12)19(26)21-10-13-9-15(23(27)28)7-8-16(13)24/h3-9,11,17,24H,10H2,1-2H3,(H,21,26)(H,22,25)/t17-/m0/s1