2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CCO)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CCO)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O7/c1-3-29-17-11-12(7-8-16(17)28-2)14(9-10-23)21-19(24)13-5-4-6-15(22(26)27)18(13)20(21)25/h4-8,11,14,23H,3,9-10H2,1-2H3