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

Systemtic Name: ethyl 3-[[2-(1-adamantyl)ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6/c1-2-31-21(28)17-6-16(7-18(8-17)25(29)30)20(27)24-23-19(26)12-22-9-13-3-14(10-22)5-15(4-13)11-22/h6-8,13-15H,2-5,9-12H2,1H3,(H,23,26)(H,24,27)