(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]prop-2-enenitrile Openeye Name: (E)-2-(4-methylthiazol-2-yl)-3-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]prop-2-enenitrile CAS Name: (E)-2-(4-methyl-2-thiazolyl)-3-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-2-propenenitrile IUPAC Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]prop-2-enenitrile Traditional Name: (E)-3-[(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)amino]-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C15H11N5O4S MolecularWeight: 357.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=C(C=C3C(=C2)NC(=O)CO3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H11N5O4S/c1-8-7-25-15(18-8)9(4-16)5-17-10-2-11-13(3-12(10)20(22)23)24-6-14(21)19-11/h2-3,5,7,17H,6H2,1H3,(H,19,21)/b9-5+