(E)-but-2-enedioic acid; 6-chloranyl-N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 6-chloranyl-N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine Openeye Name: 6-chloro-N-propyl-N-(4-pyridyl)-1,2-benzoxazol-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-chloro-N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine IUPAC Name: (E)-but-2-enedioic acid; 6-chloro-N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine Traditional Name: (6-chloroindoxazen-3-yl)-propyl-(4-pyridyl)amine; fumaric acid Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)C2=NOC3=C2C=CC(=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)C2=NOC3=C2C=CC(=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H14ClN3O.C4H4O4/c1-2-9-19(12-5-7-17-8-6-12)15-13-4-3-11(16)10-14(13)20-18-15;5-3(6)1-2-4(7)8/h3-8,10H,2,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+