[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-nitrobenzoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-nitrobenzoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C)OCCN(C)C

InChI

InChI=1S/C21H26N2O5/c1-14(2)17-13-19(15(3)12-20(17)27-11-10-22(4)5)28-21(24)16-8-6-7-9-18(16)23(25)26/h6-9,12-14H,10-11H2,1-5H3