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

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[(2-chloranyl-4-nitro-phenyl)amino]prop-2-enal Openeye Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-chloro-4-nitro-anilino)prop-2-enal CAS Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-chloro-4-nitroanilino)-2-propenal IUPAC Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-chloro-4-nitroanilino)prop-2-enal Traditional Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-chloro-4-nitro-anilino)acrolein Formula: C16H10ClN3O4 MolecularWeight: 343.7213

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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-])Cl)C=O

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O4/c17-12-7-11(20(22)23)5-6-13(12)18-8-10(9-21)16-19-14-3-1-2-4-15(14)24-16/h1-9,18H/b10-8+