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

Systemtic Name: N-[3-[[2-[(2S)-butan-2-yl]phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-[(1S)-1-methylpropyl]anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[(2S)-butan-2-yl]anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-[(2S)-butan-2-yl]anilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[2-[(1S)-1-methylpropyl]anilino]propyl]-4-nitro-benzamide Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-3-14(2)17-6-4-5-7-18(17)22-19(24)12-13-21-20(25)15-8-10-16(11-9-15)23(26)27/h4-11,14H,3,12-13H2,1-2H3,(H,21,25)(H,22,24)/t14-/m0/s1