4-ethylsulfonyl-N-(2-methoxy-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-(2-methoxy-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-(2-methoxy-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-(2-methoxy-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O7S/c1-3-29(25,26)20-11-17(28-16-7-5-4-6-14(16)20)18(22)19-13-10-12(21(23)24)8-9-15(13)27-2/h4-10,17H,3,11H2,1-2H3,(H,19,22)