(E)-2-(1,3-benzoxazol-2-yl)-3-[(2-nitrophenyl)amino]prop-2-enal

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(2-nitrophenyl)amino]prop-2-enal Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitroanilino)prop-2-enal CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitroanilino)-2-propenal IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitroanilino)prop-2-enal Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2-nitroanilino)acrolein Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O4/c20-10-11(16-18-13-6-2-4-8-15(13)23-16)9-17-12-5-1-3-7-14(12)19(21)22/h1-10,17H/b11-9-