[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3,5-dinitrobenzoate

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3,5-dinitrobenzoate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester IUPAC Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C23H21N5O6 MolecularWeight: 463.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])CC(C2)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1/C(=N/OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])/CC(C2)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O6/c1-14-21-19(12-23(2,3)13-20(21)26(24-14)16-7-5-4-6-8-16)25-34-22(29)15-9-17(27(30)31)11-18(10-15)28(32)33/h4-11H,12-13H2,1-3H3/b25-19+