N-(2-chloranyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-(2-chloranyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-oxido-pyridin-1-ium-4-carboxamide Formula: C19H13ClN4O2 MolecularWeight: 364.78512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O2/c20-15-5-6-17-21-18(22-19(25)13-7-9-24(26)10-8-13)16-4-2-1-3-14(16)11-23(17)12-15/h1-10,12H,11H2