4-[(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline

Systemtic Name: 4-[(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)ethenyl]-N-methyl-2-nitro-aniline Openeye Name: 4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)vinyl]-N-methyl-2-nitro-aniline CAS Name: 4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-N-methyl-2-nitroaniline IUPAC Name: 4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-N-methyl-2-nitroaniline Traditional Name: [4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)vinyl]-2-nitro-phenyl]-methyl-amine Formula: C16H12ClN3O3 MolecularWeight: 329.73778

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=CC2=NC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C/C2=NC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O3/c1-18-12-5-2-10(8-14(12)20(21)22)3-7-16-19-13-9-11(17)4-6-15(13)23-16/h2-9,18H,1H3/b7-3+