[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6/c21-15-2-1-14(6-16(15)24(28)29)18(26)30-10-17(25)22-19(27)23-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13H,3-5,7-10,21H2,(H2,22,23,25,27)