methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-pyridin-3-yloxy-benzoate

Systemtic Name: methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-pyridin-3-yloxy-benzoate Openeye Name: methyl 3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-4-(3-pyridyloxy)benzoate CAS Name: 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-(3-pyridinyloxy)benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-4-pyridin-3-yloxybenzoate Traditional Name: 3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-4-(3-pyridyloxy)benzoic acid methyl ester Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CN=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1OC2=CN=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H16N4O7S/c1-19(2)10-18-28(24,25)14-8-11(16(21)26-3)7-13(20(22)23)15(14)27-12-5-4-6-17-9-12/h4-10H,1-3H3/b18-10+