[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N

InChI

InChI=1S/C19H23N3O5/c20-16-2-1-14(22(25)26)8-15(16)19(24)27-9-17(23)21-18-12-4-10-3-11(6-12)7-13(18)5-10/h1-2,8,10-13,18H,3-7,9,20H2,(H,21,23)