N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-nitro-benzamide CAS Name: N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(Z)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-nitro-benzamide Formula: C21H18N4O5 MolecularWeight: 406.39142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=N\NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c1-13-8-16(11-22-23-21(26)15-4-3-5-18(9-15)25(27)28)14(2)24(13)17-6-7-19-20(10-17)30-12-29-19/h3-11H,12H2,1-2H3,(H,23,26)/b22-11-