N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-[2-(tert-butylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-[2-(tert-butylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-20(2,3)23-18(25)13-22-19(26)15-9-10-16(17(11-15)24(27)28)21-12-14-7-5-4-6-8-14/h4-11,21H,12-13H2,1-3H3,(H,22,26)(H,23,25)