ethyl 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]benzoic acid ethyl ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O5S/c1-2-26-18(23)10-6-8-11(9-7-10)20-17(22)16-14(19)12-4-3-5-13(21(24)25)15(12)27-16/h3-9H,2H2,1H3,(H,20,22)