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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(3,4-dinitrophenyl)amino]prop-2-enal Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(3,4-dinitroanilino)prop-2-enal CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(3,4-dinitroanilino)-2-propenal IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(3,4-dinitroanilino)prop-2-enal Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(3,4-dinitroanilino)acrolein Formula: C16H10N4O6 MolecularWeight: 354.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N4O6/c21-9-10(16-18-12-3-1-2-4-15(12)26-16)8-17-11-5-6-13(19(22)23)14(7-11)20(24)25/h1-9,17H/b10-8-