4-[4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=CC=C2)N(CCO3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C3C(=CC=C2)N(CCO3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H20N4O7S/c24-19(25)21-9-7-20(8-10-21)16-5-2-6-17-18(16)30-12-11-22(17)31(28,29)15-4-1-3-14(13-15)23(26)27/h1-6,13H,7-12H2,(H,24,25)