N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dinitro-benzamide CAS Name: N-[3-methoxy-4-(1-oxopentylamino)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[3-methoxy-4-(valerylamino)phenyl]-3,5-dinitro-benzamide Formula: C19H20N4O7 MolecularWeight: 416.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N4O7/c1-3-4-5-18(24)21-16-7-6-13(10-17(16)30-2)20-19(25)12-8-14(22(26)27)11-15(9-12)23(28)29/h6-11H,3-5H2,1-2H3,(H,20,25)(H,21,24)