2-chloranyl-N-[(E)-[4-(cyclooctylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(E)-[4-(cyclooctylamino)-4-oxidanylidene-butan-2-ylidene]amino]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(E)-[3-(cyclooctylamino)-1-methyl-3-oxo-propylidene]amino]-4-nitro-benzamide CAS Name: 2-chloro-N-[(E)-[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(E)-[4-(cyclooctylamino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(E)-[3-(cyclooctylamino)-3-keto-1-methyl-propylidene]amino]-4-nitro-benzamide Formula: C19H25ClN4O4 MolecularWeight: 408.8792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC(=O)NC2CCCCCCC2

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NC2CCCCCCC2

InChI

InChI=1S/C19H25ClN4O4/c1-13(11-18(25)21-14-7-5-3-2-4-6-8-14)22-23-19(26)16-10-9-15(24(27)28)12-17(16)20/h9-10,12,14H,2-8,11H2,1H3,(H,21,25)(H,23,26)/b22-13+