methyl 3-nitro-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzoic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-28-19(25)13-7-12(8-14(9-13)22(26)27)17(23)20-21-18(24)16-10-11-5-3-2-4-6-15(11)29-16/h7-10H,2-6H2,1H3,(H,20,23)(H,21,24)