2-[1,2-bis(4-ethoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[1,2-bis(4-ethoxyphenyl)-4-oxidanylidene-azetidin-3-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[1,2-bis(4-ethoxyphenyl)-4-oxo-azetidin-3-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[1,2-bis(4-ethoxyphenyl)-4-oxo-3-azetidinyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[1,2-bis(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-1,4-bis(p-phenetyl)azetidin-3-yl]-5-nitro-isoindoline-1,3-quinone Formula: C27H23N3O7 MolecularWeight: 501.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OCC)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OCC)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O7/c1-3-36-19-10-5-16(6-11-19)23-24(27(33)28(23)17-7-12-20(13-8-17)37-4-2)29-25(31)21-14-9-18(30(34)35)15-22(21)26(29)32/h5-15,23-24H,3-4H2,1-2H3