2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanyl-propyl]-7-nitro-3H-isoindol-1-one

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanyl-propyl]-7-nitro-3H-isoindol-1-one Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-propyl]-7-nitro-isoindolin-1-one CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxypropyl]-7-nitro-3H-isoindol-1-one IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxypropyl]-7-nitro-3H-isoindol-1-one Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-propyl]-7-nitro-isoindolin-1-one Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CCO)N2CC3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CCO)N2CC3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O6/c1-3-28-18-11-13(7-8-17(18)27-2)15(9-10-23)21-12-14-5-4-6-16(22(25)26)19(14)20(21)24/h4-8,11,15,23H,3,9-10,12H2,1-2H3