methyl 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitro-benzoate

Systemtic Name: methyl 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitro-benzoate Openeye Name: methyl 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(1-cyclopropyl-2-imidazolyl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(1-cyclopropylimidazol-2-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(1-cyclopropylimidazol-2-yl)thio]-5-nitro-benzoic acid methyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC=CN2C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC=CN2C3CC3

InChI

InChI=1S/C14H13N3O4S/c1-21-13(18)11-8-10(17(19)20)4-5-12(11)22-14-15-6-7-16(14)9-2-3-9/h4-9H,2-3H2,1H3