N-[3-methoxy-4-(pentanoylamino)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-methoxy-4-(1-oxopentylamino)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-methoxy-4-(valerylamino)phenyl]-2-methyl-3-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-4-5-9-19(24)22-16-11-10-14(12-18(16)28-3)21-20(25)15-7-6-8-17(13(15)2)23(26)27/h6-8,10-12H,4-5,9H2,1-3H3,(H,21,25)(H,22,24)