(E)-but-2-enedioic acid; 2-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]guanidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]guanidine Openeye Name: fumaric acid; 2-[(E)-(2-prop-2-ynoxyphenyl)methyleneamino]guanidine CAS Name: (E)-2-butenedioic acid; 2-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]guanidine IUPAC Name: (E)-but-2-enedioic acid; 2-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]guanidine Traditional Name: fumaric acid; 2-[(E)-(2-propargyloxybenzylidene)amino]guanidine Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=NN=C(N)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=N/N=C(N)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H12N4O.C4H4O4/c1-2-7-16-10-6-4-3-5-9(10)8-14-15-11(12)13;5-3(6)1-2-4(7)8/h1,3-6,8H,7H2,(H4,12,13,15);1-2H,(H,5,6)(H,7,8)/b14-8+;2-1+