1,3-benzodioxol-5-yl-(3-chloranyl-5-nitro-phenyl)methanamine

Systemtic Name: 1,3-benzodioxol-5-yl-(3-chloranyl-5-nitro-phenyl)methanamine Openeye Name: 1,3-benzodioxol-5-yl-(3-chloro-5-nitro-phenyl)methanamine CAS Name: 1,3-benzodioxol-5-yl-(3-chloro-5-nitrophenyl)methanamine IUPAC Name: 1,3-benzodioxol-5-yl-(3-chloro-5-nitrophenyl)methanamine Traditional Name: [1,3-benzodioxol-5-yl-(3-chloro-5-nitro-phenyl)methyl]amine Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC(=CC(=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC(=CC(=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C14H11ClN2O4/c15-10-3-9(4-11(6-10)17(18)19)14(16)8-1-2-12-13(5-8)21-7-20-12/h1-6,14H,7,16H2