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

Systemtic Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-3-nitro-benzamide Openeye Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-3-nitro-benzamide CAS Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-3-nitrobenzamide IUPAC Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-3-nitrobenzamide Traditional Name: N-(3-methoxy-4-propoxy-benzyl)-3-nitro-benzamide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5/c1-3-9-25-16-8-7-13(10-17(16)24-2)12-19-18(21)14-5-4-6-15(11-14)20(22)23/h4-8,10-11H,3,9,12H2,1-2H3,(H,19,21)