2-(2-hydroxyethyl)-6-(4-methyl-2-nitro-phenoxy)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-hydroxyethyl)-6-(4-methyl-2-nitro-phenoxy)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-hydroxyethyl)-6-(4-methyl-2-nitro-phenoxy)benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-hydroxyethyl)-6-(4-methyl-2-nitrophenoxy)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-hydroxyethyl)-6-(4-methyl-2-nitrophenoxy)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-hydroxyethyl)-6-(4-methyl-2-nitro-phenoxy)benzo[de]isoquinoline-1,3-quinone Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCO)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6/c1-12-5-7-18(16(11-12)23(27)28)29-17-8-6-15-19-13(17)3-2-4-14(19)20(25)22(9-10-24)21(15)26/h2-8,11,24H,9-10H2,1H3