1,3-benzodioxol-5-yl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-(methylamino)-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C15H12N2O6 MolecularWeight: 316.26558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6/c1-16-11-4-2-9(6-12(11)17(19)20)15(18)23-10-3-5-13-14(7-10)22-8-21-13/h2-7,16H,8H2,1H3