(3S)-3-[(3-nitrophenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-2-10-27-16-8-6-13(7-9-16)17(12-18(22)23)20-19(24)14-4-3-5-15(11-14)21(25)26/h3-9,11,17H,2,10,12H2,1H3,(H,20,24)(H,22,23)/t17-/m0/s1