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

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

Systemtic Name:1,3-benzodioxol-5-yl 4-(cyclopropylamino)-3-nitro-benzoate
Openeye Name:1,3-benzodioxol-5-yl 4-(cyclopropylamino)-3-nitro-benzoate
CAS Name:4-(cyclopropylamino)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester
IUPAC Name:1,3-benzodioxol-5-yl 4-(cyclopropylamino)-3-nitrobenzoate
Traditional Name:4-(cyclopropylamino)-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester
Formula: C17H14N2O6
MolecularWeight: 342.30286
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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]


InChI

InChI=1S/C17H14N2O6/c20-17(25-12-4-6-15-16(8-12)24-9-23-15)10-1-5-13(18-11-2-3-11)14(7-10)19(21)22/h1,4-8,11,18H,2-3,9H2


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