3,6-dinitro-4-pyrrolidin-1-yl-chromen-2-one

Systemtic Name: 3,6-dinitro-4-pyrrolidin-1-yl-chromen-2-one Openeye Name: 3,6-dinitro-4-pyrrolidin-1-yl-chromen-2-one CAS Name: 3,6-dinitro-4-(1-pyrrolidinyl)-1-benzopyran-2-one IUPAC Name: 3,6-dinitro-4-pyrrolidin-1-ylchromen-2-one Traditional Name: 3,6-dinitro-4-pyrrolidino-coumarin Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O6/c17-13-12(16(20)21)11(14-5-1-2-6-14)9-7-8(15(18)19)3-4-10(9)22-13/h3-4,7H,1-2,5-6H2