2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3-nitro-benzoic acid Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13N3O6S/c1-2-26-9-6-7-11-13(8-9)27-17(18-11)19-15(21)14-10(16(22)23)4-3-5-12(14)20(24)25/h3-8H,2H2,1H3,(H,22,23)(H,18,19,21)