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

Systemtic Name: N-[(2S)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl]-4-chloro-3-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-12(18(25)23-15-8-6-14(7-9-15)20(2,3)4)22-19(26)13-5-10-16(21)17(11-13)24(27)28/h5-12H,1-4H3,(H,22,26)(H,23,25)/t12-/m0/s1