[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(2,4-dinitrophenyl)acetate CAS Name: 2-(2,4-dinitrophenyl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,4-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitrophenyl)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H13N3O9 MolecularWeight: 403.29982

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O9/c21-16(18-11-2-4-14-15(6-11)29-9-28-14)8-27-17(22)5-10-1-3-12(19(23)24)7-13(10)20(25)26/h1-4,6-7H,5,8-9H2,(H,18,21)