2-[3-[[3,5-bis(methoxycarbonyl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[3,5-bis(methoxycarbonyl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(3,5-dicarbomethoxyanilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC

InChI

InChI=1S/C17H17N3O7/c1-26-16(24)10-7-11(17(25)27-2)9-12(8-10)19-14(21)4-6-20-13(15(22)23)3-5-18-20/h3,5,7-9H,4,6H2,1-2H3,(H,19,21)(H,22,23)