(4-aminocarbonyl-2-nitro-phenyl)methyl 3-ethoxy-4-propoxy-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H22N2O7/c1-3-9-28-17-8-7-14(11-18(17)27-4-2)20(24)29-12-15-6-5-13(19(21)23)10-16(15)22(25)26/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,21,23)