N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-nitro-4-pyrrolidino-benzamide Formula: C24H20IN5O3 MolecularWeight: 553.35177

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N=C3C4=CC=CC=C4CN5C=C(C=CC5=N3)I)[N+](=O)[O-]

InChI

InChI=1S/C24H20IN5O3/c25-18-8-10-22-26-23(19-6-2-1-5-17(19)14-29(22)15-18)27-24(31)16-7-9-20(21(13-16)30(32)33)28-11-3-4-12-28/h1-2,5-10,13,15H,3-4,11-12,14H2