2-[[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylidene]indene-1,3-dione Openeye Name: 2-[[5-nitro-2,4-bis(1-piperidyl)phenyl]methylene]indane-1,3-dione CAS Name: 2-[[5-nitro-2,4-bis(1-piperidinyl)phenyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylidene]indene-1,3-dione Traditional Name: 2-(5-nitro-2,4-dipiperidino-benzylidene)indane-1,3-quinone Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2C=C3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2C=C3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C26H27N3O4/c30-25-19-9-3-4-10-20(19)26(31)21(25)15-18-16-24(29(32)33)23(28-13-7-2-8-14-28)17-22(18)27-11-5-1-6-12-27/h3-4,9-10,15-17H,1-2,5-8,11-14H2