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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(2-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-methyl-2-(o-tolylmethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-keto-1-methyl-2-[(2-methylbenzyl)amino]ethyl]-3-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C(C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)[C@H](C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4/c1-11-5-3-4-6-14(11)10-20-17(23)12(2)21-18(24)13-7-8-15(19)16(9-13)22(25)26/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1