N-[(2S)-1-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-1-[[2-(tert-butylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-1-[[2-(tert-butylamino)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]-4-chloro-3-nitro-benzamide Formula: C18H25ClN4O5 MolecularWeight: 412.8679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O5/c1-10(2)15(17(26)20-9-14(24)22-18(3,4)5)21-16(25)11-6-7-12(19)13(8-11)23(27)28/h6-8,10,15H,9H2,1-5H3,(H,20,26)(H,21,25)(H,22,24)/t15-/m0/s1