4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-3-nitro-chromen-2-one

Systemtic Name: 4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-3-nitro-chromen-2-one Openeye Name: 4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-3-nitro-chromen-2-one CAS Name: 4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-3-nitrochromen-2-one Traditional Name: 4-(3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-1-yl)-3-nitro-coumarin Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2N(C1)CCCN2C3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CC2N(C1)CCCN2C3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c20-16-15(19(21)22)14(11-5-1-2-6-12(11)23-16)18-10-4-9-17-8-3-7-13(17)18/h1-2,5-6,13H,3-4,7-10H2