methyl 3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonylamino)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonylamino)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)CCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)CCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-26-17(23)11-5-10(6-12(7-11)20(24)25)15(21)18-19-16(22)14-8-9-3-2-4-13(9)27-14/h5-8H,2-4H2,1H3,(H,18,21)(H,19,22)