(2S)-2-(1-adamantyl)-2-[(4-nitrophenyl)carbonylamino]ethanoic acid

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(4-nitrophenyl)carbonylamino]ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(4-nitrobenzoyl)amino]acetic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5/c22-17(14-1-3-15(4-2-14)21(25)26)20-16(18(23)24)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16H,5-10H2,(H,20,22)(H,23,24)/t11?,12?,13?,16-,19?/m1/s1