N-[(2-chloranyl-5-nitro-phenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methyl-propanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methyl-propanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methyl-propanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-[[(cyclohexylamino)-oxomethyl]amino]-N-methylpropanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-3-(cyclohexylcarbamoylamino)-N-methyl-propionamide Formula: C18H25ClN4O4 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCNC(=O)NC2CCCCC2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)CCNC(=O)NC2CCCCC2

InChI

InChI=1S/C18H25ClN4O4/c1-22(12-13-11-15(23(26)27)7-8-16(13)19)17(24)9-10-20-18(25)21-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H2,20,21,25)