2-chloranyl-N-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-oxomethyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[2-(isobutyrylamino)ethylcarbamoyl]phenyl]-4-nitro-benzamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O5/c1-12(2)18(26)22-9-10-23-19(27)15-5-3-4-6-17(15)24-20(28)14-8-7-13(25(29)30)11-16(14)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)