N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-nitrophenyl)prop-2-enamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-(4-nitrophenyl)acrylamide Formula: C22H15IN4O3 MolecularWeight: 510.28397

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])N=C4N1C=C(C=C4)I

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])N=C4N1C=C(C=C4)I

InChI

InChI=1S/C22H15IN4O3/c23-17-8-11-20-24-22(19-4-2-1-3-16(19)13-26(20)14-17)25-21(28)12-7-15-5-9-18(10-6-15)27(29)30/h1-12,14H,13H2