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

Systemtic Name: 4-methoxy-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide IUPAC Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-propyl]-4-methoxy-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-12(2)18(22-19(25)13-4-7-16(29-3)8-5-13)20(26)21-11-14-10-15(23(27)28)6-9-17(14)24/h4-10,12,18,24H,11H2,1-3H3,(H,21,26)(H,22,25)/t18-/m0/s1