2-[3-[(2-chloranyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(2-chloranyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(2-chloro-5-nitro-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(2-chloro-5-nitroanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(2-chloro-5-nitroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(2-chloro-5-nitro-anilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H11ClN4O5 MolecularWeight: 338.70324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=CC=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCN2C(=CC=N2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN4O5/c14-9-2-1-8(18(22)23)7-10(9)16-12(19)4-6-17-11(13(20)21)3-5-15-17/h1-3,5,7H,4,6H2,(H,16,19)(H,20,21)