[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O6S/c1-17(8-11-5-6-25-10-11)15(19)9-24-16(20)13-7-12(18(21)22)3-4-14(13)23-2/h3-7,10H,8-9H2,1-2H3