N-[2-[[4-(2,2-dimethylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[[4-(2,2-dimethylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(2,2-dimethylpropanoylamino)anilino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[4-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-keto-2-[4-(pivaloylamino)anilino]ethyl]-4-methyl-3-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)NC(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)NC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-13-5-6-14(11-17(13)25(29)30)19(27)22-12-18(26)23-15-7-9-16(10-8-15)24-20(28)21(2,3)4/h5-11H,12H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)