methyl 3-[(1-azanyl-2-chloranyl-ethylidene)amino]-4-ethynyl-benzoate

Systemtic Name: methyl 3-[(1-azanyl-2-chloranyl-ethylidene)amino]-4-ethynyl-benzoate Openeye Name: methyl 3-[(1-amino-2-chloro-ethylidene)amino]-4-ethynyl-benzoate CAS Name: 3-[(1-amino-2-chloroethylidene)amino]-4-ethynylbenzoic acid methyl ester IUPAC Name: methyl 3-[(1-amino-2-chloroethylidene)amino]-4-ethynylbenzoate Traditional Name: 3-[(1-amino-2-chloro-ethylidene)amino]-4-ethynyl-benzoic acid methyl ester Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C#C)N=C(CCl)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C#C)N=C(CCl)N

InChI

InChI=1S/C12H11ClN2O2/c1-3-8-4-5-9(12(16)17-2)6-10(8)15-11(14)7-13/h1,4-6H,7H2,2H3,(H2,14,15)