methyl 4-azanyl-3-(3-ethoxy-3-oxidanylidene-prop-1-ynyl)benzoate

Systemtic Name: methyl 4-azanyl-3-(3-ethoxy-3-oxidanylidene-prop-1-ynyl)benzoate Openeye Name: methyl 4-amino-3-(3-ethoxy-3-oxo-prop-1-ynyl)benzoate CAS Name: 4-amino-3-(3-ethoxy-3-oxoprop-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(3-ethoxy-3-oxoprop-1-ynyl)benzoate Traditional Name: 4-amino-3-(3-ethoxy-3-keto-prop-1-ynyl)benzoic acid methyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC1=C(C=CC(=C1)C(=O)OC)N

Isomeric SMILES

CCOC(=O)C#CC1=C(C=CC(=C1)C(=O)OC)N

InChI

InChI=1S/C13H13NO4/c1-3-18-12(15)7-5-9-8-10(13(16)17-2)4-6-11(9)14/h4,6,8H,3,14H2,1-2H3