methyl 4-[(2-methoxy-5-nitro-phenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[(2-methoxy-5-nitro-phenyl)sulfonyl-methyl-amino]butanoate Openeye Name: methyl 4-[(2-methoxy-5-nitro-phenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(2-methoxy-5-nitrophenyl)sulfonyl-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-methoxy-5-nitrophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(2-methoxy-5-nitro-phenyl)sulfonyl-methyl-amino]butyric acid methyl ester Formula: C13H18N2O7S MolecularWeight: 346.35622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CN(CCCC(=O)OC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H18N2O7S/c1-14(8-4-5-13(16)22-3)23(19,20)12-9-10(15(17)18)6-7-11(12)21-2/h6-7,9H,4-5,8H2,1-3H3