2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H15N4O5+ MolecularWeight: 355.3248

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C(=O)[N+]4=CC=CC=C4N3)[N+](=O)[O-])OC1

InChI

InChI=1S/C17H14N4O5/c22-17-15(21(23)24)16(19-14-4-1-2-7-20(14)17)18-11-5-6-12-13(10-11)26-9-3-8-25-12/h1-2,4-7,10H,3,8-9H2,(H,18,22)/p+1