N-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-nitrophenyl)-2-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxy-3-nitrophenyl)pyrimidin-2-amine Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-methoxy-3-nitro-phenyl)pyrimidin-2-yl]amine Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5/c1-25-15-4-2-11(8-14(15)22(23)24)13-6-7-19-18(21-13)20-12-3-5-16-17(9-12)27-10-26-16/h2-9H,10H2,1H3,(H,19,20,21)