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

Systemtic Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 4-chloranyl-3-nitro-benzoate Openeye Name: [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-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] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] ester Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O4/c1-14-21-18(26-32-22(29)15-9-10-17(24)19(11-15)28(30)31)12-23(2,3)13-20(21)27(25-14)16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3/b26-18+