2-[2-(4-nitrophenoxy)ethanoyl]benzo[e][1,3]benzoxazole-5-sulfonic acid

Systemtic Name: 2-[2-(4-nitrophenoxy)ethanoyl]benzo[e][1,3]benzoxazole-5-sulfonic acid Openeye Name: 2-[2-(4-nitrophenoxy)acetyl]benzo[e][1,3]benzoxazole-5-sulfonic acid CAS Name: 2-[2-(4-nitrophenoxy)-1-oxoethyl]-5-benzo[e][1,3]benzoxazolesulfonic acid IUPAC Name: 2-[2-(4-nitrophenoxy)acetyl]benzo[e][1,3]benzoxazole-5-sulfonic acid Traditional Name: 2-[2-(4-nitrophenoxy)acetyl]benzo[e][1,3]benzoxazole-5-sulfonic acid Formula: C19H12N2O8S MolecularWeight: 428.37218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2N=C(O3)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2N=C(O3)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C19H12N2O8S/c22-15(10-28-12-7-5-11(6-8-12)21(23)24)19-20-18-14-4-2-1-3-13(14)17(30(25,26)27)9-16(18)29-19/h1-9H,10H2,(H,25,26,27)