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

Systemtic Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(veratrylamino)ethyl]-3-nitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6/c1-12(21-19(24)14-5-4-6-15(10-14)22(25)26)18(23)20-11-13-7-8-16(27-2)17(9-13)28-3/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1