4-chloranyl-N-[1-(cyclooctylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-(cyclooctylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-(cyclooctylcarbamoyl)-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(cyclooctylamino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(cyclooctylamino)-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-(cyclooctylcarbamoyl)-2-methyl-propyl]-3-nitro-benzamide Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1CCCCCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H28ClN3O4/c1-13(2)18(20(26)22-15-8-6-4-3-5-7-9-15)23-19(25)14-10-11-16(21)17(12-14)24(27)28/h10-13,15,18H,3-9H2,1-2H3,(H,22,26)(H,23,25)