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

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3-nitrobenzoate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H22N4O4/c1-15-21-19(25-31-22(28)16-8-7-11-18(12-16)27(29)30)13-23(2,3)14-20(21)26(24-15)17-9-5-4-6-10-17/h4-12H,13-14H2,1-3H3/b25-19+