ethyl 3-[(5-nitro-4-thiocyanato-pyrimidin-2-yl)amino]benzoate

Systemtic Name: ethyl 3-[(5-nitro-4-thiocyanato-pyrimidin-2-yl)amino]benzoate Openeye Name: ethyl 3-[(5-nitro-4-thiocyanato-pyrimidin-2-yl)amino]benzoate CAS Name: 3-[(5-nitro-4-thiocyanato-2-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-nitro-4-thiocyanatopyrimidin-2-yl)amino]benzoate Traditional Name: 3-[(5-nitro-4-thiocyanato-pyrimidin-2-yl)amino]benzoic acid ethyl ester Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O4S/c1-2-23-13(20)9-4-3-5-10(6-9)17-14-16-7-11(19(21)22)12(18-14)24-8-15/h3-7H,2H2,1H3,(H,16,17,18)