N-[2-(4-methoxyphenyl)-1-pyridin-2-yl-ethyl]-5-nitro-1,3-benzoxazol-2-amine

Systemtic Name: N-[2-(4-methoxyphenyl)-1-pyridin-2-yl-ethyl]-5-nitro-1,3-benzoxazol-2-amine Openeye Name: N-[2-(4-methoxyphenyl)-1-(2-pyridyl)ethyl]-5-nitro-1,3-benzoxazol-2-amine CAS Name: N-[2-(4-methoxyphenyl)-1-(2-pyridinyl)ethyl]-5-nitro-1,3-benzoxazol-2-amine IUPAC Name: N-[2-(4-methoxyphenyl)-1-pyridin-2-ylethyl]-5-nitro-1,3-benzoxazol-2-amine Traditional Name: [2-(4-methoxyphenyl)-1-(2-pyridyl)ethyl]-(5-nitro-1,3-benzoxazol-2-yl)amine Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CC=CC=N2)NC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(C2=CC=CC=N2)NC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4/c1-28-16-8-5-14(6-9-16)12-18(17-4-2-3-11-22-17)23-21-24-19-13-15(25(26)27)7-10-20(19)29-21/h2-11,13,18H,12H2,1H3,(H,23,24)