4-nitro-1-(2-piperidin-1-ylethylamino)xanthen-9-one

Systemtic Name: 4-nitro-1-(2-piperidin-1-ylethylamino)xanthen-9-one Openeye Name: 4-nitro-1-[2-(1-piperidyl)ethylamino]xanthen-9-one CAS Name: 4-nitro-1-[2-(1-piperidinyl)ethylamino]-9-xanthenone IUPAC Name: 4-nitro-1-(2-piperidin-1-ylethylamino)xanthen-9-one Traditional Name: 4-nitro-1-(2-piperidinoethylamino)xanthone Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C3C(=C(C=C2)[N+](=O)[O-])OC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)CCNC2=C3C(=C(C=C2)[N+](=O)[O-])OC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O4/c24-19-14-6-2-3-7-17(14)27-20-16(23(25)26)9-8-15(18(19)20)21-10-13-22-11-4-1-5-12-22/h2-3,6-9,21H,1,4-5,10-13H2