4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-dione

Systemtic Name: 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-dione Openeye Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-2-(4-ethoxy-2-nitro-phenyl)-7-methoxy-isoquinoline-1,3-dione CAS Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-2-(4-ethoxy-2-nitrophenyl)-7-methoxyisoquinoline-1,3-dione IUPAC Name: 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-(4-ethoxy-2-nitrophenyl)-7-methoxyisoquinoline-1,3-dione Traditional Name: 2-(4-ethoxy-2-nitro-phenyl)-4-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]-7-methoxy-isoquinoline-1,3-quinone Formula: C30H27N5O7 MolecularWeight: 569.56468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=O)C3=C(C=CC(=C3)OC)C(=CNC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=O)C3=C(C=CC(=C3)OC)C(=CNC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C30H27N5O7/c1-5-42-21-12-14-25(26(16-21)35(39)40)33-28(36)23-15-20(41-4)11-13-22(23)24(29(33)37)17-31-27-18(2)32(3)34(30(27)38)19-9-7-6-8-10-19/h6-17,31H,5H2,1-4H3