(2S)-2-(1-adamantyl)-2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]ethanoic acid

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(2-chloro-5-nitro-benzoyl)amino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(2-chloro-5-nitrobenzoyl)amino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(2-chloro-5-nitro-benzoyl)amino]acetic acid Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN2O5/c20-15-2-1-13(22(26)27)6-14(15)17(23)21-16(18(24)25)19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,6,10-12,16H,3-5,7-9H2,(H,21,23)(H,24,25)/t10?,11?,12?,16-,19?/m1/s1