[4-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]phenyl] ester Formula: C21H15N3O7S MolecularWeight: 453.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O7S/c1-13-22-19-11-15(7-10-20(19)30-13)23-21(25)14-5-8-17(9-6-14)31-32(28,29)18-4-2-3-16(12-18)24(26)27/h2-12H,1H3,(H,23,25)