3-nitro-4-[[prop-2-enoxy-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]amino]methyl]benzoic acid

Systemtic Name: 3-nitro-4-[[prop-2-enoxy-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]amino]methyl]benzoic acid Openeye Name: 4-[[allyloxy-[2-(4-pyridyl)thiazole-4-carbonyl]amino]methyl]-3-nitro-benzoic acid CAS Name: 3-nitro-4-[[[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-prop-2-enoxyamino]methyl]benzoic acid IUPAC Name: 3-nitro-4-[[prop-2-enoxy-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[allyloxy-[2-(4-pyridyl)thiazole-4-carbonyl]amino]methyl]-3-nitro-benzoic acid Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON(CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C2=CSC(=N2)C3=CC=NC=C3

Isomeric SMILES

C=CCON(CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])C(=O)C2=CSC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C20H16N4O6S/c1-2-9-30-23(11-15-4-3-14(20(26)27)10-17(15)24(28)29)19(25)16-12-31-18(22-16)13-5-7-21-8-6-13/h2-8,10,12H,1,9,11H2,(H,26,27)