4-chloranyl-N-[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C17H22ClN3O4 MolecularWeight: 367.82728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H22ClN3O4/c1-11(16(22)20-13-6-4-2-3-5-7-13)19-17(23)12-8-9-14(18)15(10-12)21(24)25/h8-11,13H,2-7H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1