methyl 3-nitro-4-(2-thiocyanatoethylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(2-thiocyanatoethylamino)benzoate Openeye Name: methyl 3-nitro-4-(2-thiocyanatoethylamino)benzoate CAS Name: 3-nitro-4-(2-thiocyanatoethylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(2-thiocyanatoethylamino)benzoate Traditional Name: 3-nitro-4-(2-thiocyanatoethylamino)benzoic acid methyl ester Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCCSC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCCSC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4S/c1-18-11(15)8-2-3-9(10(6-8)14(16)17)13-4-5-19-7-12/h2-3,6,13H,4-5H2,1H3