N-[(2S)-1-[[4-(3-methylphenoxy)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[4-(3-methylphenoxy)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-methyl-2-[4-(3-methylphenoxy)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[4-(3-methylphenoxy)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[4-(3-methylphenoxy)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(3-methylphenoxy)anilino]ethyl]-3-nitro-benzamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)C(C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O5/c1-15-5-3-8-21(13-15)31-20-11-9-18(10-12-20)25-22(27)16(2)24-23(28)17-6-4-7-19(14-17)26(29)30/h3-14,16H,1-2H3,(H,24,28)(H,25,27)/t16-/m0/s1