N-naphthalen-2-yl-3-nitro-4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]benzamide

Systemtic Name: N-naphthalen-2-yl-3-nitro-4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]benzamide Openeye Name: 4-[[2-(isopropylamino)-2-oxo-ethyl]amino]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: N-(2-naphthalenyl)-3-nitro-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide IUPAC Name: N-naphthalen-2-yl-3-nitro-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide Traditional Name: 4-[[2-(isopropylamino)-2-keto-ethyl]amino]-N-(2-naphthyl)-3-nitro-benzamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CNC1=C(C=C(C=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-14(2)24-21(27)13-23-19-10-8-17(12-20(19)26(29)30)22(28)25-18-9-7-15-5-3-4-6-16(15)11-18/h3-12,14,23H,13H2,1-2H3,(H,24,27)(H,25,28)