dimethyl 2-[(2-ethoxycarbonyl-3,5-dinitro-phenyl)amino]-2-(ethylamino)propanedioate

Systemtic Name: dimethyl 2-[(2-ethoxycarbonyl-3,5-dinitro-phenyl)amino]-2-(ethylamino)propanedioate Openeye Name: dimethyl 2-(2-ethoxycarbonyl-3,5-dinitro-anilino)-2-(ethylamino)propanedioate CAS Name: 2-(2-ethoxycarbonyl-3,5-dinitroanilino)-2-(ethylamino)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-ethoxycarbonyl-3,5-dinitroanilino)-2-(ethylamino)propanedioate Traditional Name: 2-(2-carbethoxy-3,5-dinitro-anilino)-2-(ethylamino)malonic acid dimethyl ester Formula: C16H20N4O10 MolecularWeight: 428.3508

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C(=O)OC)(C(=O)OC)NC1=CC(=CC(=C1C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCNC(C(=O)OC)(C(=O)OC)NC1=CC(=CC(=C1C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O10/c1-5-17-16(14(22)28-3,15(23)29-4)18-10-7-9(19(24)25)8-11(20(26)27)12(10)13(21)30-6-2/h7-8,17-18H,5-6H2,1-4H3