methyl 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H15N5O6 MolecularWeight: 409.3523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O6/c1-28-19(25)11-2-4-12(5-3-11)22-17-16(24(26)27)18(21-9-20-17)23-13-6-7-14-15(8-13)30-10-29-14/h2-9H,10H2,1H3,(H2,20,21,22,23)