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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O6/c1-18-12-3-2-10(6-13(12)19(21)22)16(20)23-7-9-4-11(17)15-14(5-9)24-8-25-15/h2-6,18H,7-8H2,1H3