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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(4-ethoxyphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(4-ethoxyphenyl)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(4-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(4-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(p-phenetylcarbamoyl)propyl]-3-nitro-benzamide Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5/c1-4-29-15-8-6-14(7-9-15)22-20(26)18(12(2)3)23-19(25)13-5-10-16(21)17(11-13)24(27)28/h5-12,18H,4H2,1-3H3,(H,22,26)(H,23,25)/t18-/m0/s1