2-chloranyl-3-[4-(4-nitrophenyl)piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(4-nitrophenyl)piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(4-nitrophenyl)-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-(4-nitrophenyl)piperazino]-1,4-naphthoquinone Formula: C20H16ClN3O4 MolecularWeight: 397.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C20H16ClN3O4/c21-17-18(20(26)16-4-2-1-3-15(16)19(17)25)23-11-9-22(10-12-23)13-5-7-14(8-6-13)24(27)28/h1-8H,9-12H2