3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one

Systemtic Name: 3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one Openeye Name: 3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one CAS Name: 3-nitro-4-(1-pyrrolidinylmethyl)-9-xanthenone IUPAC Name: 3-nitro-4-(pyrrolidin-1-ylmethyl)xanthen-9-one Traditional Name: 3-nitro-4-(pyrrolidinomethyl)xanthone Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4/c21-17-12-5-1-2-6-16(12)24-18-13(17)7-8-15(20(22)23)14(18)11-19-9-3-4-10-19/h1-2,5-8H,3-4,9-11H2