methyl 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-30-20(27)16-5-15(6-17(7-16)24(28)29)19(26)23-22-18(25)11-21-8-12-2-13(9-21)4-14(3-12)10-21/h5-7,12-14H,2-4,8-11H2,1H3,(H,22,25)(H,23,26)