[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O8/c1-5-32-21-11-17(18(25(29)30)12-20(21)31-4)23(28)33-13-19(26)15-6-8-16(9-7-15)24-22(27)10-14(2)3/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,24,27)