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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C18H18ClN3O4/c1-10-4-6-14(8-11(10)2)21-17(23)12(3)20-18(24)13-5-7-15(19)16(9-13)22(25)26/h4-9,12H,1-3H3,(H,20,24)(H,21,23)/t12-/m0/s1