[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7/c1-5-30-19-11-16(17(24(27)28)12-18(19)29-4)22(26)31-13-20(25)23-21(14(2)3)15-9-7-6-8-10-15/h6-12,14,21H,5,13H2,1-4H3,(H,23,25)