(4E)-2-[(4-methoxyphenyl)methyl]-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-[(4-methoxyphenyl)methyl]-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-[(4-methoxyphenyl)methyl]-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-[(4-methoxyphenyl)methyl]-4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-[(4-methoxyphenyl)methyl]-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(3-nitro-4-pyrrolidino-benzylidene)-2-p-anisyl-isoquinoline-1,3-quinone Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C\C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C28H25N3O5/c1-36-21-11-8-19(9-12-21)18-30-27(32)23-7-3-2-6-22(23)24(28(30)33)16-20-10-13-25(26(17-20)31(34)35)29-14-4-5-15-29/h2-3,6-13,16-17H,4-5,14-15,18H2,1H3/b24-16+