2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-methoxy-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-methoxy-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[bis(2-hydroxyethyl)amino]propyl]-5-methoxy-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)CCCN(CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)CCCN(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7/c1-30-16-12-15-17-13(18(16)23(28)29)4-2-5-14(17)19(26)22(20(15)27)7-3-6-21(8-10-24)9-11-25/h2,4-5,12,24-25H,3,6-11H2,1H3