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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c1-13-6-7-14(10-18(13)25(28)29)21(26)24-17-5-3-2-4-16(17)22(27)23-15-8-9-19-20(11-15)31-12-30-19/h2-11H,12H2,1H3,(H,23,27)(H,24,26)