2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione

Systemtic Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione Openeye Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene]indane-1,3-dione CAS Name: 2-[1-[4-(4-nitrophenyl)-1-piperazinyl]ethylidene]indene-1,3-dione IUPAC Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethylidene]indene-1,3-dione Traditional Name: 2-[1-[4-(4-nitrophenyl)piperazino]ethylidene]indane-1,3-quinone Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-14(19-20(25)17-4-2-3-5-18(17)21(19)26)22-10-12-23(13-11-22)15-6-8-16(9-7-15)24(27)28/h2-9H,10-13H2,1H3