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

Systemtic Name: methyl 2-[methyl(thiophen-2-ylmethyl)amino]-5-nitro-benzoate Openeye Name: methyl 2-[methyl(2-thienylmethyl)amino]-5-nitro-benzoate CAS Name: 2-[methyl(thiophen-2-ylmethyl)amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[methyl(thiophen-2-ylmethyl)amino]-5-nitrobenzoate Traditional Name: 2-[methyl(2-thenyl)amino]-5-nitro-benzoic acid methyl ester Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S/c1-15(9-11-4-3-7-21-11)13-6-5-10(16(18)19)8-12(13)14(17)20-2/h3-8H,9H2,1-2H3