prop-2-ynyl 2-[(5-chloranyl-2-prop-2-ynoxycarbonyl-phenyl)amino]-5-nitro-benzoate

Systemtic Name: prop-2-ynyl 2-[(5-chloranyl-2-prop-2-ynoxycarbonyl-phenyl)amino]-5-nitro-benzoate Openeye Name: prop-2-ynyl 2-(5-chloro-2-prop-2-ynoxycarbonyl-anilino)-5-nitro-benzoate CAS Name: 2-[5-chloro-2-[oxo(prop-2-ynoxy)methyl]anilino]-5-nitrobenzoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-(5-chloro-2-prop-2-ynoxycarbonylanilino)-5-nitrobenzoate Traditional Name: 2-(5-chloro-2-propargyloxycarbonyl-anilino)-5-nitro-benzoic acid propargyl ester Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C1=C(C=C(C=C1)Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#C

Isomeric SMILES

C#CCOC(=O)C1=C(C=C(C=C1)Cl)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC#C

InChI

InChI=1S/C20H13ClN2O6/c1-3-9-28-19(24)15-7-5-13(21)11-18(15)22-17-8-6-14(23(26)27)12-16(17)20(25)29-10-4-2/h1-2,5-8,11-12,22H,9-10H2