2-chloranyl-N-[(2S)-1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-methyl-2-[2-(2-nitroanilino)ethylamino]-2-oxo-ethyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[2-(2-nitroanilino)ethylamino]-1-oxopropan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[2-(2-nitroanilino)ethylamino]-1-oxopropan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-[2-(2-nitroanilino)ethylamino]ethyl]benzamide Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H19ClN4O4/c1-12(22-18(25)13-6-2-3-7-14(13)19)17(24)21-11-10-20-15-8-4-5-9-16(15)23(26)27/h2-9,12,20H,10-11H2,1H3,(H,21,24)(H,22,25)/t12-/m0/s1