N-[(2S,3S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-butyl]benzamide CAS Name: N-[(2S,3S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-butyl]benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-3-13(2)18(22-19(25)14-7-5-4-6-8-14)20(26)21-12-15-11-16(23(27)28)9-10-17(15)24/h4-11,13,18,24H,3,12H2,1-2H3,(H,21,26)(H,22,25)/t13-,18-/m0/s1