ethyl 3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo(propoxy)methyl]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(4-propoxycarbonylphenyl)carbamoyl]benzoic acid ethyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-3-9-29-19(24)13-5-7-16(8-6-13)21-18(23)14-10-15(20(25)28-4-2)12-17(11-14)22(26)27/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,23)