N-[bis(azanyl)methylidene]-3-(2-cyanopyrrol-1-yl)benzamide; (E)-but-2-enedioic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-cyanopyrrol-1-yl)benzamide; (E)-but-2-enedioic acid Openeye Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylene)benzamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-cyano-1-pyrrolyl)-N-(diaminomethylidene)benzamide IUPAC Name: (E)-but-2-enedioic acid; 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylidene)benzamide Traditional Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylene)benzamide; fumaric acid Formula: C17H15N5O5 MolecularWeight: 369.3315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)N=C(N)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)N=C(N)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H11N5O.C4H4O4/c14-8-11-5-2-6-18(11)10-4-1-3-9(7-10)12(19)17-13(15)16;5-3(6)1-2-4(7)8/h1-7H,(H4,15,16,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+