N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-3-methyl-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2-phenoxy-acetamide Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H22N4O6/c1-13(2)18(21-17(25)12-30-16-9-4-3-5-10-16)20(27)23-22-19(26)14-7-6-8-15(11-14)24(28)29/h3-11,13,18H,12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)/t18-/m0/s1