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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[[2-(cyclopropylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[[2-(cyclopropylamino)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C17H21ClN4O5 MolecularWeight: 396.82544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN4O5/c1-9(2)15(17(25)19-8-14(23)20-11-4-5-11)21-16(24)10-3-6-12(18)13(7-10)22(26)27/h3,6-7,9,11,15H,4-5,8H2,1-2H3,(H,19,25)(H,20,23)(H,21,24)/t15-/m0/s1