(4-pyrazol-1-ylphenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C25H15N3O6 MolecularWeight: 453.4031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H15N3O6/c29-23-17-4-1-2-5-18(17)24(30)21-19(23)10-11-20(22(21)28(32)33)25(31)34-14-15-6-8-16(9-7-15)27-13-3-12-26-27/h1-13H,14H2