2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-5-(4-nitrophenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-5-(4-nitrophenyl)thiophene-3-carboxylic acid Openeye Name: 2-[[(E)-4-methyl-3-oxo-pent-1-enyl]amino]-5-(4-nitrophenyl)thiophene-3-carboxylic acid CAS Name: 2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-5-(4-nitrophenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-5-(4-nitrophenyl)thiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-keto-4-methyl-pent-1-enyl]amino]-5-(4-nitrophenyl)-3-thenoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=CNC1=C(C=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C(=O)/C=C/NC1=C(C=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H16N2O5S/c1-10(2)14(20)7-8-18-16-13(17(21)22)9-15(25-16)11-3-5-12(6-4-11)19(23)24/h3-10,18H,1-2H3,(H,21,22)/b8-7+