2-[4-(4-bromophenyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(4-bromophenyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(4-bromophenyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(4-bromophenyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(4-bromophenyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(4-bromophenyl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H13BrN3O4+ MolecularWeight: 439.23892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])OC3=CC=C(C=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=[N+]2C(=C1)NC(=C(C2=O)[N+](=O)[O-])OC3=CC=C(C=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H12BrN3O4/c21-15-8-4-13(5-9-15)14-6-10-16(11-7-14)28-19-18(24(26)27)20(25)23-12-2-1-3-17(23)22-19/h1-12H/p+1