3-azanyl-4-(phenylcarbonyl)-5-prop-2-ynoxy-benzoic acid

Systemtic Name: 3-azanyl-4-(phenylcarbonyl)-5-prop-2-ynoxy-benzoic acid Openeye Name: 3-amino-4-benzoyl-5-prop-2-ynoxy-benzoic acid CAS Name: 3-amino-4-benzoyl-5-prop-2-ynoxybenzoic acid IUPAC Name: 3-amino-4-benzoyl-5-prop-2-ynoxybenzoic acid Traditional Name: 3-amino-4-benzoyl-5-propargyloxy-benzoic acid Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

C#CCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C17H13NO4/c1-2-8-22-14-10-12(17(20)21)9-13(18)15(14)16(19)11-6-4-3-5-7-11/h1,3-7,9-10H,8,18H2,(H,20,21)