3-(1,3-benzoxazol-2-ylamino)-2-methyl-5-nitro-benzoic acid

Systemtic Name: 3-(1,3-benzoxazol-2-ylamino)-2-methyl-5-nitro-benzoic acid Openeye Name: 3-(1,3-benzoxazol-2-ylamino)-2-methyl-5-nitro-benzoic acid CAS Name: 3-(1,3-benzoxazol-2-ylamino)-2-methyl-5-nitrobenzoic acid IUPAC Name: 3-(1,3-benzoxazol-2-ylamino)-2-methyl-5-nitrobenzoic acid Traditional Name: 3-(1,3-benzoxazol-2-ylamino)-2-methyl-5-nitro-benzoic acid Formula: C15H11N3O5 MolecularWeight: 313.26494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])NC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])NC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H11N3O5/c1-8-10(14(19)20)6-9(18(21)22)7-12(8)17-15-16-11-4-2-3-5-13(11)23-15/h2-7H,1H3,(H,16,17)(H,19,20)