N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]-3-nitro-benzamide Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4/c1-11-5-2-3-8-14(11)18-15(20)10-17-16(21)12-6-4-7-13(9-12)19(22)23/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,17,21)(H,18,20)/t11-,14-/m0/s1