methyl 3-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(1,3-dithian-2-yl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(1,3-dithian-2-yl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3SCCCS3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S2/c1-26-18(23)14-8-13(10-16(11-14)21(24)25)17(22)20-15-5-2-4-12(9-15)19-27-6-3-7-28-19/h2,4-5,8-11,19H,3,6-7H2,1H3,(H,20,22)