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

Systemtic Name: N-[1-[(3-acetamido-4-fluoranyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[1-[(3-acetamido-4-fluoro-phenyl)carbamoyl]-2-methyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-(3-acetamido-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-(3-acetamido-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[1-[(3-acetamido-4-fluoro-phenyl)carbamoyl]-2-methyl-propyl]-4-chloro-3-nitro-benzamide Formula: C20H20ClFN4O5 MolecularWeight: 450.848003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN4O5/c1-10(2)18(25-19(28)12-4-6-14(21)17(8-12)26(30)31)20(29)24-13-5-7-15(22)16(9-13)23-11(3)27/h4-10,18H,1-3H3,(H,23,27)(H,24,29)(H,25,28)