3-[(4-nitrophenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: 3-[(4-nitrophenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: 3-(4-isopropoxyphenyl)-3-[(4-nitrobenzoyl)amino]propanoic acid CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-[(4-nitrobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: 3-(4-isopropoxyphenyl)-3-[(4-nitrobenzoyl)amino]propionic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-12(2)27-16-9-5-13(6-10-16)17(11-18(22)23)20-19(24)14-3-7-15(8-4-14)21(25)26/h3-10,12,17H,11H2,1-2H3,(H,20,24)(H,22,23)