4-(2-chloranyl-4-nitro-phenyl)-N-[(2,2-dimethylchromen-4-yl)methyl]butan-1-amine

Systemtic Name: 4-(2-chloranyl-4-nitro-phenyl)-N-[(2,2-dimethylchromen-4-yl)methyl]butan-1-amine Openeye Name: 4-(2-chloro-4-nitro-phenyl)-N-[(2,2-dimethylchromen-4-yl)methyl]butan-1-amine CAS Name: 4-(2-chloro-4-nitrophenyl)-N-[(2,2-dimethyl-1-benzopyran-4-yl)methyl]-1-butanamine IUPAC Name: 4-(2-chloro-4-nitrophenyl)-N-[(2,2-dimethylchromen-4-yl)methyl]butan-1-amine Traditional Name: 4-(2-chloro-4-nitro-phenyl)butyl-[(2,2-dimethylchromen-4-yl)methyl]amine Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC=CC=C2O1)CNCCCCC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(C=C(C2=CC=CC=C2O1)CNCCCCC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C22H25ClN2O3/c1-22(2)14-17(19-8-3-4-9-21(19)28-22)15-24-12-6-5-7-16-10-11-18(25(26)27)13-20(16)23/h3-4,8-11,13-14,24H,5-7,12,15H2,1-2H3