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

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(2,4-dinitrophenyl)carbonylamino]ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(2,4-dinitrobenzoyl)amino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(2,4-dinitrobenzoyl)amino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(2,4-dinitrobenzoyl)amino]acetic acid Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7/c23-17(14-2-1-13(21(26)27)6-15(14)22(28)29)20-16(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,20,23)(H,24,25)/t10?,11?,12?,16-,19?/m1/s1