5-(3-methylpiperidin-1-yl)-6-nitro-2-phenyl-isoindole-1,3-dione

Systemtic Name: 5-(3-methylpiperidin-1-yl)-6-nitro-2-phenyl-isoindole-1,3-dione Openeye Name: 5-(3-methyl-1-piperidyl)-6-nitro-2-phenyl-isoindoline-1,3-dione CAS Name: 5-(3-methyl-1-piperidinyl)-6-nitro-2-phenylisoindole-1,3-dione IUPAC Name: 5-(3-methylpiperidin-1-yl)-6-nitro-2-phenylisoindole-1,3-dione Traditional Name: 5-(3-methylpiperidino)-6-nitro-2-phenyl-isoindoline-1,3-quinone Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-13-6-5-9-21(12-13)17-10-15-16(11-18(17)23(26)27)20(25)22(19(15)24)14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3