[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-2-20-14-5-4-13(8-15(14)22(25)26)19(24)27-10-18(23)21-9-12-3-6-16-17(7-12)29-11-28-16/h3-8,20H,2,9-11H2,1H3,(H,21,23)