7-azanyl-1-chloranyl-3-[(2,4-dinitrophenyl)amino]heptan-2-one

Systemtic Name: 7-azanyl-1-chloranyl-3-[(2,4-dinitrophenyl)amino]heptan-2-one Openeye Name: 7-amino-1-chloro-3-(2,4-dinitroanilino)heptan-2-one CAS Name: 7-amino-1-chloro-3-(2,4-dinitroanilino)-2-heptanone IUPAC Name: 7-amino-1-chloro-3-(2,4-dinitroanilino)heptan-2-one Traditional Name: 7-amino-1-chloro-3-(2,4-dinitroanilino)heptan-2-one Formula: C13H17ClN4O5 MolecularWeight: 344.75088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCCN)C(=O)CCl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCCN)C(=O)CCl

InChI

InChI=1S/C13H17ClN4O5/c14-8-13(19)11(3-1-2-6-15)16-10-5-4-9(17(20)21)7-12(10)18(22)23/h4-5,7,11,16H,1-3,6,8,15H2