1-[3-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-nitro-phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[3-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-nitro-phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[3-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-4-nitro-phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[3-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-nitrophenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[3-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-nitrophenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[3-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-4-nitro-phenyl]pyrrole-2-carboxylic acid Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)N3C=CC=C3C(=O)O)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)CC(=O)NC2=C(C=CC(=C2)N3C=CC=C3C(=O)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H14N4O6/c22-12-13-3-1-4-14(9-13)19(26)11-20(27)23-16-10-15(6-7-17(16)25(30)31)24-8-2-5-18(24)21(28)29/h1-10H,11H2,(H,23,27)(H,28,29)