[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C23H28N2O8 MolecularWeight: 460.47702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H28N2O8/c1-14(2)10-11-32-20-8-6-16(12-21(20)31-5)23(27)33-15(3)22(26)24-18-13-17(25(28)29)7-9-19(18)30-4/h6-9,12-15H,10-11H2,1-5H3,(H,24,26)