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

Systemtic Name: 3-methyl-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]-3-methyl-benzamide CAS Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-propyl]-3-methyl-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O5/c1-12(2)18(22-19(25)14-6-4-5-13(3)9-14)20(26)21-11-15-10-16(23(27)28)7-8-17(15)24/h4-10,12,18,24H,11H2,1-3H3,(H,21,26)(H,22,25)/t18-/m0/s1