6-nitro-5-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]chromen-2-one

Systemtic Name: 6-nitro-5-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]chromen-2-one Openeye Name: 6-nitro-5-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]chromen-2-one CAS Name: 6-nitro-5-[2-[4-(1-pyrrolidinylmethyl)phenyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-nitro-5-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]chromen-2-one Traditional Name: 6-nitro-5-[2-[4-(pyrrolidinomethyl)phenyl]ethyl]coumarin Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CCC3=C(C=CC4=C3C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CCC3=C(C=CC4=C3C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O4/c25-22-12-9-19-18(20(24(26)27)10-11-21(19)28-22)8-7-16-3-5-17(6-4-16)15-23-13-1-2-14-23/h3-6,9-12H,1-2,7-8,13-15H2