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

Systemtic Name: 3-nitro-4-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]benzamide Openeye Name: 4-[[2-(isopropylamino)-2-oxo-ethyl]amino]-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide IUPAC Name: 3-nitro-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide Traditional Name: 4-[[2-(isopropylamino)-2-keto-ethyl]amino]-3-nitro-benzamide Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c1-7(2)15-11(17)6-14-9-4-3-8(12(13)18)5-10(9)16(19)20/h3-5,7,14H,6H2,1-2H3,(H2,13,18)(H,15,17)