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

Systemtic Name: 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-[[2-hydroxyethyl(isopentyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[[[2-hydroxyethyl(3-methylbutyl)amino]-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-[[2-hydroxyethyl(isoamyl)carbamoyl]amino]-3-(4-nitrophenyl)propionic acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCO)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CCN(CCO)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H25N3O6/c1-12(2)7-8-19(9-10-21)17(24)18-15(16(22)23)11-13-3-5-14(6-4-13)20(25)26/h3-6,12,15,21H,7-11H2,1-2H3,(H,18,24)(H,22,23)