2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methyleneamino]-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methyleneamino]-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C28H17N5O4 MolecularWeight: 487.46568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O)C6=CC=CC=C6

InChI

InChI=1S/C28H17N5O4/c34-27-22-13-7-12-21-24(33(36)37)15-14-23(25(21)22)28(35)32(27)29-16-19-17-31(20-10-5-2-6-11-20)30-26(19)18-8-3-1-4-9-18/h1-17H