N-(3,4-dipropoxyphenyl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(3,4-dipropoxyphenyl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(3,4-dipropoxyphenyl)-4-ethoxy-3-nitro-benzamide CAS Name: N-(3,4-dipropoxyphenyl)-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(3,4-dipropoxyphenyl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(3,4-dipropoxyphenyl)-4-ethoxy-3-nitro-benzamide Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])OCCC

InChI

InChI=1S/C21H26N2O6/c1-4-11-28-19-10-8-16(14-20(19)29-12-5-2)22-21(24)15-7-9-18(27-6-3)17(13-15)23(25)26/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)