N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C19H19N5O9S MolecularWeight: 493.44726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O9S/c1-34(31,32)13-3-4-14(15(9-13)24(29)30)20-6-7-21-18(25)10-22-16-8-12(23(27)28)2-5-17(16)33-11-19(22)26/h2-5,8-9,20H,6-7,10-11H2,1H3,(H,21,25)