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

Systemtic Name: (4E)-2-(3-methylphenyl)-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(m-tolyl)-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(3-methylphenyl)-4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(3-methylphenyl)-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-2-(m-tolyl)-4-(3-nitro-4-pyrrolidino-benzylidene)isoquinoline-1,3-quinone Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3/C(=C\C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C27H23N3O4/c1-18-7-6-8-20(15-18)29-26(31)22-10-3-2-9-21(22)23(27(29)32)16-19-11-12-24(25(17-19)30(33)34)28-13-4-5-14-28/h2-3,6-12,15-17H,4-5,13-14H2,1H3/b23-16+