(E)-3-(4-chloranyl-3-nitro-phenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[2-(3-pyridyl)-1,3-benzoxazol-5-yl]acrylamide Formula: C21H13ClN4O4 MolecularWeight: 420.80532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)/C=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O4/c22-16-6-3-13(10-18(16)26(28)29)4-8-20(27)24-15-5-7-19-17(11-15)25-21(30-19)14-2-1-9-23-12-14/h1-12H,(H,24,27)/b8-4+