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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4/c1-12(2)18(20(27)23-15-6-3-13(4-7-15)9-10-22)24-19(26)14-5-8-16(21)17(11-14)25(28)29/h3-8,11-12,18H,9H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1