N-[3-nitro-4-[[2-nitro-4-(propanoylamino)phenyl]methyl]phenyl]propanamide

Systemtic Name: N-[3-nitro-4-[[2-nitro-4-(propanoylamino)phenyl]methyl]phenyl]propanamide Openeye Name: N-[3-nitro-4-[[2-nitro-4-(propanoylamino)phenyl]methyl]phenyl]propanamide CAS Name: N-[3-nitro-4-[[2-nitro-4-(1-oxopropylamino)phenyl]methyl]phenyl]propanamide IUPAC Name: N-[3-nitro-4-[[2-nitro-4-(propanoylamino)phenyl]methyl]phenyl]propanamide Traditional Name: N-[3-nitro-4-(2-nitro-4-propionamido-benzyl)phenyl]propionamide Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)CC2=C(C=C(C=C2)NC(=O)CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)CC2=C(C=C(C=C2)NC(=O)CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6/c1-3-18(24)20-14-7-5-12(16(10-14)22(26)27)9-13-6-8-15(21-19(25)4-2)11-17(13)23(28)29/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,24)(H,21,25)