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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid piperonyl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-17-12-4-3-11(7-13(12)18(20)21)16(19)22-8-10-2-5-14-15(6-10)24-9-23-14/h2-7,17H,8-9H2,1H3