(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c22-19(26)15-1-2-16(17(6-15)24(28)29)11-30-18(25)10-23-20(27)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,12-14H,3-5,7-11H2,(H2,22,26)(H,23,27)