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

Systemtic Name: N-[2-[(E)-2-bromanylprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-chloro-5-nitro-benzamide CAS Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-2-chloro-5-nitrobenzamide IUPAC Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-ethenyl-1H-2,4-benzodiazepin-5-ylidene]-2-chloro-5-nitrobenzamide Traditional Name: N-[2-[(E)-2-bromoprop-1-enyl]-3-vinyl-1H-2,4-benzodiazepin-5-ylidene]-2-chloro-5-nitro-benzamide Formula: C21H16BrClN4O3 MolecularWeight: 487.73374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN4O3/c1-3-19-24-20(16-7-5-4-6-14(16)12-26(19)11-13(2)22)25-21(28)17-10-15(27(29)30)8-9-18(17)23/h3-11H,1,12H2,2H3/b13-11+,25-20?