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

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[(3-nitrophenyl)amino]prop-2-enal Openeye Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitroanilino)prop-2-enal CAS Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitroanilino)-2-propenal IUPAC Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-nitroanilino)prop-2-enal Traditional Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(3-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(16-18-14-6-1-2-7-15(14)23-16)9-17-12-4-3-5-13(8-12)19(21)22/h1-10,17H/b11-9+