2-[3-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3-(4-chlorophenoxy)-5-nitro-anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3-(4-chlorophenoxy)-5-nitroanilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[3-(4-chlorophenoxy)-5-nitroanilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[3-(4-chlorophenoxy)-5-nitro-anilino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C19H15ClN4O6 MolecularWeight: 430.7986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC=N3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=CC=N3)C(=O)O)Cl

InChI

InChI=1S/C19H15ClN4O6/c20-12-1-3-15(4-2-12)30-16-10-13(9-14(11-16)24(28)29)22-18(25)6-8-23-17(19(26)27)5-7-21-23/h1-5,7,9-11H,6,8H2,(H,22,25)(H,26,27)