2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-nitrophenyl)propionic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H23N3O6/c24-13-12-22(11-10-15-4-2-1-3-5-15)20(27)21-18(19(25)26)14-16-6-8-17(9-7-16)23(28)29/h1-9,18,24H,10-14H2,(H,21,27)(H,25,26)