2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 2-(3-methyl-4-propan-2-ylphenoxy)ethyl ester IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)ethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 2-(4-isopropyl-3-methyl-phenoxy)ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C(C)C

InChI

InChI=1S/C21H26N2O6/c1-14(2)18-6-5-17(12-15(18)3)28-10-11-29-21(25)19-13-16(23(26)27)4-7-20(19)22-8-9-24/h4-7,12-14,22,24H,8-11H2,1-3H3