methyl 3-[methyl(thiophen-2-ylmethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl(thiophen-2-ylmethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[methyl(2-thienylmethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl(thiophen-2-ylmethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl(thiophen-2-ylmethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl(2-thenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H14N2O5S/c1-16(9-13-4-3-5-23-13)14(18)10-6-11(15(19)22-2)8-12(7-10)17(20)21/h3-8H,9H2,1-2H3