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

Systemtic Name: N-[1-[(3-acetamido-2-methyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[1-[(3-acetamido-2-methyl-phenyl)carbamoyl]-2-methyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[1-[(3-acetamido-2-methyl-phenyl)carbamoyl]-2-methyl-propyl]-4-chloro-3-nitro-benzamide Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H23ClN4O5/c1-11(2)19(25-20(28)14-8-9-15(22)18(10-14)26(30)31)21(29)24-17-7-5-6-16(12(17)3)23-13(4)27/h5-11,19H,1-4H3,(H,23,27)(H,24,29)(H,25,28)