4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c1-21-19(26)15-9-22(12-4-2-3-5-14(12)29-15)17(24)10-30-16-7-6-11(18(20)25)8-13(16)23(27)28/h2-8,15H,9-10H2,1H3,(H2,20,25)(H,21,26)