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

Systemtic Name: 1-[3-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H15N5O5 MolecularWeight: 393.3529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O5/c1-11(25)12-3-2-4-13(7-12)22-18-17(24(26)27)19(21-9-20-18)23-14-5-6-15-16(8-14)29-10-28-15/h2-9H,10H2,1H3,(H2,20,21,22,23)