3-nitro-N-[(2S)-1-oxidanylidene-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[(2S)-1-oxidanylidene-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(2S)-1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide IUPAC Name: 3-nitro-N-[(2S)-1-oxo-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]-3-nitro-benzamide Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1OC)OC)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC(=C(C=C1OC)OC)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7/c1-12(22-20(25)13-6-5-7-15(8-13)23(26)27)19(24)21-11-14-9-17(29-3)18(30-4)10-16(14)28-2/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,25)/t12-/m0/s1