(E)-2-(1,3-benzoxazol-2-yl)-3-[(4-nitro-2-oxidanyl-phenyl)amino]prop-2-enal

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(4-nitro-2-oxidanyl-phenyl)amino]prop-2-enal Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitro-anilino)prop-2-enal CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitroanilino)-2-propenal IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitroanilino)prop-2-enal Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-hydroxy-4-nitro-anilino)acrolein Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(=CNC3=C(C=C(C=C3)[N+](=O)[O-])O)C=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C(=C\NC3=C(C=C(C=C3)[N+](=O)[O-])O)/C=O

InChI

InChI=1S/C16H11N3O5/c20-9-10(16-18-13-3-1-2-4-15(13)24-16)8-17-12-6-5-11(19(22)23)7-14(12)21/h1-9,17,21H/b10-8-