N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C24H21N3O8 MolecularWeight: 479.43884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C24H21N3O8/c1-3-33-22-12-18(27(30)31)16(11-20(22)32-2)24(29)26-17-7-5-4-6-15(17)23(28)25-14-8-9-19-21(10-14)35-13-34-19/h4-12H,3,13H2,1-2H3,(H,25,28)(H,26,29)