3-(3-cyanophenyl)-4-nitro-5-(3-oxidanylidenepropanoylamino)-1-phenyl-pyrrole-2-carboxylic acid

Systemtic Name: 3-(3-cyanophenyl)-4-nitro-5-(3-oxidanylidenepropanoylamino)-1-phenyl-pyrrole-2-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-4-nitro-5-(3-oxopropanoylamino)-1-phenyl-pyrrole-2-carboxylic acid CAS Name: 3-(3-cyanophenyl)-5-(1,3-dioxopropylamino)-4-nitro-1-phenyl-2-pyrrolecarboxylic acid IUPAC Name: 3-(3-cyanophenyl)-4-nitro-5-(3-oxopropanoylamino)-1-phenylpyrrole-2-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-(3-ketopropanoylamino)-4-nitro-1-phenyl-pyrrole-2-carboxylic acid Formula: C21H14N4O6 MolecularWeight: 418.35906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=C2NC(=O)CC=O)[N+](=O)[O-])C3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=C2NC(=O)CC=O)[N+](=O)[O-])C3=CC=CC(=C3)C#N)C(=O)O

InChI

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