(Z)-2-(1,3-benzoxazol-2-yl)-3-[(4,5-dimethyl-2-nitro-phenyl)amino]prop-2-enal

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[(4,5-dimethyl-2-nitro-phenyl)amino]prop-2-enal Openeye Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitro-anilino)prop-2-enal CAS Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitroanilino)-2-propenal IUPAC Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitroanilino)prop-2-enal Traditional Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(4,5-dimethyl-2-nitro-anilino)acrolein Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC=C(C=O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])N/C=C(\C=O)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H15N3O4/c1-11-7-15(16(21(23)24)8-12(11)2)19-9-13(10-22)18-20-14-5-3-4-6-17(14)25-18/h3-10,19H,1-2H3/b13-9+