ethyl 2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidine-4-carboxylate

Systemtic Name: ethyl 2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidine-4-carboxylate Openeye Name: ethyl 2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidine-4-carboxylate CAS Name: 2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitropyrimidine-4-carboxylate Traditional Name: 2,6-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-nitro-pyrimidine-4-carboxylic acid ethyl ester Formula: C23H21N5O8 MolecularWeight: 495.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=N1)NC2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=N1)NC2=CC3=C(C=C2)OCCO3)NC4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O8/c1-2-32-22(29)19-20(28(30)31)21(24-13-3-5-15-17(11-13)35-9-7-33-15)27-23(26-19)25-14-4-6-16-18(12-14)36-10-8-34-16/h3-6,11-12H,2,7-10H2,1H3,(H2,24,25,26,27)