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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(3-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O4/c1-11(2)17(19(26)22-14-5-3-4-12(8-14)10-21)23-18(25)13-6-7-15(20)16(9-13)24(27)28/h3-9,11,17H,1-2H3,(H,22,26)(H,23,25)/t17-/m0/s1