(3S)-3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: (3S)-3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: (3S)-3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoate IUPAC Name: (3S)-3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-methoxyphenyl)propionate Formula: C17H14ClN2O6- MolecularWeight: 377.75586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O6/c1-26-12-5-2-10(3-6-12)14(9-16(21)22)19-17(23)11-4-7-13(18)15(8-11)20(24)25/h2-8,14H,9H2,1H3,(H,19,23)(H,21,22)/p-1/t14-/m0/s1