N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(phenylcarbamoyl)vinyl]-3-nitro-benzamide CAS Name: N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(E)-3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(phenylcarbamoyl)vinyl]-3-nitro-benzamide Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=CC=C3)/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6/c27-22(16-5-4-8-18(13-16)26(29)30)25-19(23(28)24-17-6-2-1-3-7-17)11-15-9-10-20-21(12-15)32-14-31-20/h1-13H,14H2,(H,24,28)(H,25,27)/b19-11+