N-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]-3-nitro-benzamide CAS Name: N-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]phenyl]-3-nitro-benzamide Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-3-13(2)20-18(23)12-27-17-9-7-15(8-10-17)21-19(24)14-5-4-6-16(11-14)22(25)26/h4-11,13H,3,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1