2-chloranyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one

Systemtic Name: 2-chloranyl-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Openeye Name: 2-chloro-4-(methylamino)-1-(3-nitrophenyl)butan-1-one CAS Name: 2-chloro-4-(methylamino)-1-(3-nitrophenyl)-1-butanone IUPAC Name: 2-chloro-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Traditional Name: 2-chloro-4-(methylamino)-1-(3-nitrophenyl)butan-1-one Formula: C11H13ClN2O3 MolecularWeight: 256.68552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O3/c1-13-6-5-10(12)11(15)8-3-2-4-9(7-8)14(16)17/h2-4,7,10,13H,5-6H2,1H3