2-(1-adamantyl)-2-[(3,5-dinitrophenyl)carbonylamino]ethanoic acid

Systemtic Name: 2-(1-adamantyl)-2-[(3,5-dinitrophenyl)carbonylamino]ethanoic acid Openeye Name: 2-(1-adamantyl)-2-[(3,5-dinitrobenzoyl)amino]acetic acid CAS Name: 2-(1-adamantyl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-(1-adamantyl)-2-[(3,5-dinitrobenzoyl)amino]acetic acid Traditional Name: 2-(1-adamantyl)-2-[(3,5-dinitrobenzoyl)amino]acetic acid Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7/c23-17(13-4-14(21(26)27)6-15(5-13)22(28)29)20-16(18(24)25)19-7-10-1-11(8-19)3-12(2-10)9-19/h4-6,10-12,16H,1-3,7-9H2,(H,20,23)(H,24,25)