N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-nitro-benzamide

Systemtic Name: N-[3-ethenyl-2-[(E)-2-iodanylprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-nitro-benzamide Openeye Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-nitro-benzamide CAS Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-nitrobenzamide IUPAC Name: N-[3-ethenyl-2-[(E)-2-iodoprop-1-enyl]-1H-2,4-benzodiazepin-5-ylidene]-2-nitrobenzamide Traditional Name: N-[2-[(E)-2-iodoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-nitro-benzamide Formula: C21H17IN4O3 MolecularWeight: 500.28915

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1CC2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1C=C)I

Isomeric SMILES

C/C(=C\N1CC2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1C=C)/I

InChI

InChI=1S/C21H17IN4O3/c1-3-19-23-20(24-21(27)17-10-6-7-11-18(17)26(28)29)16-9-5-4-8-15(16)13-25(19)12-14(2)22/h3-12H,1,13H2,2H3/b14-12+,24-20?