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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(4-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(p-anisylcarbamoyl)propyl]-3-nitro-benzamide Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5/c1-12(2)18(20(26)22-11-13-4-7-15(29-3)8-5-13)23-19(25)14-6-9-16(21)17(10-14)24(27)28/h4-10,12,18H,11H2,1-3H3,(H,22,26)(H,23,25)/t18-/m0/s1