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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H13N4O4S+ MolecularWeight: 417.41732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC4=C(C(=O)[N+]5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OC4=C(C(=O)[N+]5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O4S/c26-21-18(25(27)28)19(23-17-7-3-4-12-24(17)21)29-14-10-8-13(9-11-14)20-22-15-5-1-2-6-16(15)30-20/h1-12H/p+1