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

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[(2-methyl-4-nitro-phenyl)amino]prop-2-enal Openeye Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitro-anilino)prop-2-enal CAS Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitroanilino)-2-propenal IUPAC Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitroanilino)prop-2-enal Traditional Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-methyl-4-nitro-anilino)acrolein Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C=O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C=O)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H13N3O4/c1-11-8-13(20(22)23)6-7-14(11)18-9-12(10-21)17-19-15-4-2-3-5-16(15)24-17/h2-10,18H,1H3/b12-9+