1,3-benzodioxol-5-yl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7/c1-23-7-6-18-13-4-2-11(8-14(13)19(21)22)17(20)26-12-3-5-15-16(9-12)25-10-24-15/h2-5,8-9,18H,6-7,10H2,1H3