2-[[1-ethoxy-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-ethoxy-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-ethoxy-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-ethoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-ethoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-ethoxy-2-keto-1-(4-nitrobenzyl)ethyl]carbamoyl]benzoic acid Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H18N2O7/c1-2-28-19(25)16(11-12-7-9-13(10-8-12)21(26)27)20-17(22)14-5-3-4-6-15(14)18(23)24/h3-10,16H,2,11H2,1H3,(H,20,22)(H,23,24)