N-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-methyl-4-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-methyl-4-[2-(4-nitrophenyl)sulfanylpropanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-methyl-4-[2-[(4-nitrophenyl)thio]propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CC(OC2=CC=CC=C21)C(=O)NC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-12(28-14-9-7-13(8-10-14)22(25)26)19(24)21-11-17(18(23)20-2)27-16-6-4-3-5-15(16)21/h3-10,12,17H,11H2,1-2H3,(H,20,23)