2-[[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)hydrazo]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[[(5-carbethoxy-4-methyl-thiazol-2-yl)amino]carbamoyl]-3-nitro-benzoic acid Formula: C15H14N4O7S MolecularWeight: 394.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NNC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NNC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C15H14N4O7S/c1-3-26-14(23)11-7(2)16-15(27-11)18-17-12(20)10-8(13(21)22)5-4-6-9(10)19(24)25/h4-6H,3H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)