N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(ethylamino)-3-nitro-benzamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(ethylamino)-3-nitro-benzamide Openeye Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(ethylamino)-3-nitro-benzamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(ethylamino)-3-nitrobenzamide Traditional Name: 4-(ethylamino)-3-nitro-N-[3-(pivaloylamino)phenyl]benzamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-5-21-16-10-9-13(11-17(16)24(27)28)18(25)22-14-7-6-8-15(12-14)23-19(26)20(2,3)4/h6-12,21H,5H2,1-4H3,(H,22,25)(H,23,26)