[1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] 4-nitrobenzoate Openeye Name: [1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] ester IUPAC Name: [1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-[(2-allyloxyphenoxy)methyl]-2-(isopropylamino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1OCC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1OCC=C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-4-13-28-20-7-5-6-8-21(20)29-15-19(14-23-16(2)3)30-22(25)17-9-11-18(12-10-17)24(26)27/h4-12,16,19,23H,1,13-15H2,2-3H3